 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Boat_STD_wB97XD-def2SVPDr.in
 Output=25_methylisochromane_Boat_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/25_methylisochromane_Boat_STD/Gau-114383.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/25_methylisochromane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    114384.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=25_methylisochromane_Boat_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 18:10:20 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "25_methylisochromane_Boat_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.556893000000      0.962771000000     -0.130925000000
  C                                                 2.806469000000     -0.381564000000      0.128707000000
  C                                                 1.251477000000      1.398833000000     -0.297104000000
  C                                                 0.177898000000      0.511952000000     -0.211676000000
  C                                                 0.433041000000     -0.835657000000      0.047582000000
  C                                                 1.746757000000     -1.271183000000      0.213760000000
  C                                                -1.245374000000      1.001383000000     -0.374974000000
  C                                                -2.153843000000     -0.180074000000     -0.705730000000
  O                                                -1.975330000000     -1.227911000000      0.235605000000
  C                                                -0.702105000000     -1.829642000000      0.110251000000
  H                                                 3.377111000000      1.665240000000     -0.203600000000
  H                                                 3.821503000000     -0.731857000000      0.264537000000
  H                                                 1.055538000000      2.445124000000     -0.502408000000
  H                                                 1.938106000000     -2.319299000000      0.415829000000
  H                                                -1.275680000000      1.696610000000     -1.220779000000
  C                                                -1.728541000000      1.739012000000      0.880156000000
  H                                                -1.947031000000     -0.549488000000     -1.719780000000
  H                                                -3.204706000000      0.105294000000     -0.652132000000
  H                                                -0.679840000000     -2.462779000000     -0.790780000000
  H                                                -0.587050000000     -2.485409000000      0.974413000000
  H                                                -1.772163000000      1.053131000000      1.726763000000
  H                                                -2.725724000000      2.156512000000      0.723367000000
  H                                                -1.053454000000      2.555217000000      1.139441000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 18:10:20 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391738   0.000000
     3  C    1.386318   2.401901   0.000000
     4  C    2.422679   2.797073   1.395144   0.000000
     5  C    2.788719   2.417838   2.404494   1.395838   0.000000
     6  C    2.401183   1.386234   2.763199   2.412858   1.393968
     7  C    3.810287   4.310878   2.529485   1.513906   2.523955
     8  C    4.881345   5.034042   3.775729   2.481936   2.772947
     9  O    5.047225   4.857297   4.194740   2.804207   2.447339
    10  C    4.298465   3.795703   3.795454   2.522123   1.510129
    11  H    1.082359   2.150690   2.144303   3.400750   3.871063
    12  H    2.151138   1.082335   3.385309   3.879394   3.396987
    13  H    2.142297   3.384410   1.084097   2.142879   3.384304
    14  H    3.384349   2.142734   3.847628   3.392356   2.145232
    15  H    4.051533   4.775339   2.707096   2.129458   3.307695
    16  C    4.470993   5.062394   3.222138   2.516403   3.463313
    17  H    5.009663   5.103025   4.006297   2.813602   2.978289
    18  H    5.848329   6.081198   4.653693   3.435314   3.822066
    19  H    4.758807   4.163083   4.345774   3.149619   2.142167
    20  H    4.795424   4.081342   4.481548   3.313024   2.149717
    21  H    4.711677   5.057272   3.654852   2.802349   3.354116
    22  H    5.482780   6.115604   4.175352   3.465531   4.403130
    23  H    4.145397   4.954318   2.951879   2.741656   3.860032
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.803158   0.000000
     8  C    4.153392   1.526616   0.000000
     9  O    3.722403   2.423921   1.419838   0.000000
    10  C    2.513865   2.923232   2.344023   1.413823   0.000000
    11  H    3.384498   4.673055   5.852245   6.100152   5.380772
    12  H    2.144300   5.393175   6.078704   5.818091   4.657463
    13  H    3.847287   2.719342   4.151281   4.818922   4.662433
    14  H    1.084432   4.667638   4.751655   4.066767   2.702565
    15  H    4.472228   1.095283   2.135038   3.341166   3.812490
    16  C    4.645757   1.533916   2.525630   3.046142   3.792310
    17  H    4.231252   2.169338   1.098879   2.069925   2.556883
    18  H    5.211664   2.172274   1.090239   2.019128   3.253954
    19  H    2.883986   3.534564   2.718577   2.063167   1.101460
    20  H    2.738538   3.796308   3.254580   2.013569   1.090891
    21  H    4.480448   2.167368   2.753815   2.732761   3.473977
    22  H    5.657904   2.175342   2.798035   3.500760   4.512247
    23  H    4.831087   2.178230   3.478121   3.997353   4.517706
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.482481   0.000000
    13  H    2.467226   4.281586   0.000000
    14  H    4.281469   2.467802   4.931715   0.000000
    15  H    4.762783   5.838227   2.551648   5.397632   0.000000
    16  C    5.219928   6.106322   3.187660   5.489061   2.149607
    17  H    5.962408   6.103012   4.411929   4.773609   2.396804
    18  H    6.779006   7.135034   4.862808   5.785128   2.564525
    19  H    5.817574   4.936788   5.213656   2.886197   4.223795
    20  H    5.859196   4.797313   5.402708   2.591529   4.773087
    21  H    5.533173   6.050900   3.860407   5.182464   3.057542
    22  H    6.192351   7.170731   3.985444   6.471381   2.468571
    23  H    4.714417   5.944369   2.675002   5.764890   2.521355
                   16         17         18         19         20
    16  C    0.000000
    17  H    3.470538   0.000000
    18  H    2.682537   1.774925   0.000000
    19  H    4.641858   2.475782   3.604049   0.000000
    20  H    4.376942   3.585528   4.026104   1.767775   0.000000
    21  H    1.090449   3.804947   2.934232   4.460136   3.806808
    22  H    1.092366   3.727971   2.515734   5.274100   5.117068
    23  H    1.090487   4.314257   3.720180   5.389399   5.064847
                   21         22         23
    21  H    0.000000
    22  H    1.770178   0.000000
    23  H    1.765716   1.768776   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.64D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9809331           1.0075309           0.7304582
 Leave Link  202 at Fri Jul 23 18:10:20 2021, MaxMem= 10737418240 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   341 symmetry adapted cartesian basis functions of A   symmetry.
 There are   319 symmetry adapted basis functions of A   symmetry.
   319 basis functions,   475 primitive gaussians,   341 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       608.7582623565 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0151197694 Hartrees.
 Nuclear repulsion after empirical dispersion term =      608.7431425871 Hartrees.
 Leave Link  301 at Fri Jul 23 18:10:21 2021, MaxMem= 10737418240 cpu:               8.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   319 RedAO= T EigKep=  4.90D-06  NBF=   319
 NBsUse=   319 1.00D-06 EigRej= -1.00D+00 NBFU=   319
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   341   341   341   341   341 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Fri Jul 23 18:10:21 2021, MaxMem= 10737418240 cpu:               4.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 18:10:22 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Boat_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 18:10:22 2021, MaxMem= 10737418240 cpu:               5.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737176835 LenY= 10737060113
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -463.045427835576    
 DIIS: error= 4.35D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -463.045427835576     IErMin= 1 ErrMin= 4.35D-03
 ErrMax= 4.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-02 BMatP= 1.10D-02
 IDIUse=3 WtCom= 9.57D-01 WtEn= 4.35D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 GapD=    0.372 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.03D-03 MaxDP=3.94D-01              OVMax= 1.43D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.72D-03    CP:  1.07D+00
 E= -463.054370984379     Delta-E=       -0.008943148803 Rises=F Damp=F
 DIIS: error= 5.58D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -463.054370984379     IErMin= 2 ErrMin= 5.58D-04
 ErrMax= 5.58D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.33D-04 BMatP= 1.10D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.58D-03
 Coeff-Com: -0.939D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.933D-02 0.101D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.22D-03 MaxDP=4.64D-02 DE=-8.94D-03 OVMax= 7.90D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.39D-04    CP:  1.10D+00  1.09D+00
 E= -463.054626464054     Delta-E=       -0.000255479675 Rises=F Damp=F
 DIIS: error= 5.83D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -463.054626464054     IErMin= 2 ErrMin= 5.58D-04
 ErrMax= 5.83D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-04 BMatP= 3.33D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.83D-03
 Coeff-Com: -0.444D-01 0.501D+00 0.543D+00
 Coeff-En:   0.000D+00 0.127D+00 0.873D+00
 Coeff:     -0.441D-01 0.499D+00 0.545D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.30D-04 MaxDP=4.24D-03 DE=-2.55D-04 OVMax= 3.23D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.06D-04    CP:  1.10D+00  1.10D+00  1.05D+00
 E= -463.054839291039     Delta-E=       -0.000212826985 Rises=F Damp=F
 DIIS: error= 1.07D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -463.054839291039     IErMin= 4 ErrMin= 1.07D-04
 ErrMax= 1.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.98D-06 BMatP= 3.00D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.07D-03
 Coeff-Com: -0.115D-01 0.511D-01 0.144D+00 0.817D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.115D-01 0.511D-01 0.143D+00 0.817D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=5.46D-05 MaxDP=2.05D-03 DE=-2.13D-04 OVMax= 8.26D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.48D-05    CP:  1.10D+00  1.10D+00  1.10D+00  1.06D+00
 E= -463.054846963735     Delta-E=       -0.000007672696 Rises=F Damp=F
 DIIS: error= 3.02D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -463.054846963735     IErMin= 5 ErrMin= 3.02D-05
 ErrMax= 3.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.24D-07 BMatP= 7.98D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.782D-03-0.314D-01-0.148D-01 0.253D+00 0.793D+00
 Coeff:      0.782D-03-0.314D-01-0.148D-01 0.253D+00 0.793D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.42D-05 MaxDP=6.69D-04 DE=-7.67D-06 OVMax= 2.99D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.38D-05    CP:  1.10D+00  1.10D+00  1.12D+00  1.06D+00  9.92D-01
 E= -463.054848094631     Delta-E=       -0.000001130896 Rises=F Damp=F
 DIIS: error= 9.53D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -463.054848094631     IErMin= 6 ErrMin= 9.53D-06
 ErrMax= 9.53D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.87D-08 BMatP= 9.24D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.849D-03-0.122D-01-0.133D-01 0.267D-01 0.234D+00 0.764D+00
 Coeff:      0.849D-03-0.122D-01-0.133D-01 0.267D-01 0.234D+00 0.764D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=6.50D-06 MaxDP=2.85D-04 DE=-1.13D-06 OVMax= 9.49D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.73D-06    CP:  1.10D+00  1.10D+00  1.12D+00  1.07D+00  1.03D+00
                    CP:  9.96D-01
 E= -463.054848168354     Delta-E=       -0.000000073724 Rises=F Damp=F
 DIIS: error= 2.33D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -463.054848168354     IErMin= 7 ErrMin= 2.33D-06
 ErrMax= 2.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.19D-09 BMatP= 5.87D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.271D-03-0.222D-02-0.374D-02-0.935D-02 0.265D-01 0.257D+00
 Coeff-Com:  0.731D+00
 Coeff:      0.271D-03-0.222D-02-0.374D-02-0.935D-02 0.265D-01 0.257D+00
 Coeff:      0.731D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.98D-06 MaxDP=6.00D-05 DE=-7.37D-08 OVMax= 3.76D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.34D-06    CP:  1.10D+00  1.10D+00  1.12D+00  1.07D+00  1.04D+00
                    CP:  1.06D+00  1.09D+00
 E= -463.054848178206     Delta-E=       -0.000000009852 Rises=F Damp=F
 DIIS: error= 1.14D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -463.054848178206     IErMin= 8 ErrMin= 1.14D-06
 ErrMax= 1.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-09 BMatP= 7.19D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.814D-04 0.181D-02 0.158D-02-0.939D-02-0.387D-01-0.666D-01
 Coeff-Com:  0.282D+00 0.830D+00
 Coeff:     -0.814D-04 0.181D-02 0.158D-02-0.939D-02-0.387D-01-0.666D-01
 Coeff:      0.282D+00 0.830D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=8.80D-07 MaxDP=2.73D-05 DE=-9.85D-09 OVMax= 2.34D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.52D-07    CP:  1.10D+00  1.10D+00  1.12D+00  1.07D+00  1.04D+00
                    CP:  1.08D+00  1.19D+00  1.00D+00
 E= -463.054848180423     Delta-E=       -0.000000002217 Rises=F Damp=F
 DIIS: error= 2.71D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -463.054848180423     IErMin= 9 ErrMin= 2.71D-07
 ErrMax= 2.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.51D-11 BMatP= 1.36D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.348D-04 0.578D-03 0.619D-03-0.192D-02-0.114D-01-0.323D-01
 Coeff-Com:  0.233D-01 0.215D+00 0.806D+00
 Coeff:     -0.348D-04 0.578D-03 0.619D-03-0.192D-02-0.114D-01-0.323D-01
 Coeff:      0.233D-01 0.215D+00 0.806D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.11D-07 MaxDP=6.16D-06 DE=-2.22D-09 OVMax= 4.93D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.48D-07    CP:  1.10D+00  1.10D+00  1.12D+00  1.06D+00  1.04D+00
                    CP:  1.08D+00  1.20D+00  1.07D+00  1.06D+00
 E= -463.054848180545     Delta-E=       -0.000000000122 Rises=F Damp=F
 DIIS: error= 7.15D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -463.054848180545     IErMin=10 ErrMin= 7.15D-08
 ErrMax= 7.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.77D-12 BMatP= 5.51D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.362D-05 0.415D-05 0.383D-04 0.334D-03 0.391D-03-0.299D-02
 Coeff-Com: -0.222D-01-0.197D-01 0.242D+00 0.802D+00
 Coeff:     -0.362D-05 0.415D-05 0.383D-04 0.334D-03 0.391D-03-0.299D-02
 Coeff:     -0.222D-01-0.197D-01 0.242D+00 0.802D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=6.25D-08 MaxDP=1.91D-06 DE=-1.22D-10 OVMax= 1.75D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.11D-08    CP:  1.10D+00  1.10D+00  1.12D+00  1.06D+00  1.04D+00
                    CP:  1.08D+00  1.21D+00  1.09D+00  1.12D+00  9.68D-01
 E= -463.054848180545     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 3.17D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -463.054848180545     IErMin=11 ErrMin= 3.17D-08
 ErrMax= 3.17D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.83D-13 BMatP= 6.77D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.259D-05-0.635D-04-0.563D-04 0.345D-03 0.144D-02 0.255D-02
 Coeff-Com: -0.107D-01-0.315D-01 0.138D-02 0.288D+00 0.748D+00
 Coeff:      0.259D-05-0.635D-04-0.563D-04 0.345D-03 0.144D-02 0.255D-02
 Coeff:     -0.107D-01-0.315D-01 0.138D-02 0.288D+00 0.748D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.48D-08 MaxDP=7.13D-07 DE= 4.55D-13 OVMax= 6.07D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.58D-08    CP:  1.10D+00  1.10D+00  1.12D+00  1.06D+00  1.04D+00
                    CP:  1.08D+00  1.21D+00  1.09D+00  1.13D+00  1.03D+00
                    CP:  1.07D+00
 E= -463.054848180560     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 1.41D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -463.054848180560     IErMin=12 ErrMin= 1.41D-08
 ErrMax= 1.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-13 BMatP= 9.83D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.129D-05-0.218D-04-0.237D-04 0.774D-04 0.428D-03 0.119D-02
 Coeff-Com: -0.674D-03-0.798D-02-0.291D-01-0.692D-03 0.255D+00 0.782D+00
 Coeff:      0.129D-05-0.218D-04-0.237D-04 0.774D-04 0.428D-03 0.119D-02
 Coeff:     -0.674D-03-0.798D-02-0.291D-01-0.692D-03 0.255D+00 0.782D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=8.23D-09 MaxDP=2.13D-07 DE=-1.48D-11 OVMax= 3.73D-07

 SCF Done:  E(RwB97XD) =  -463.054848181     A.U. after   12 cycles
            NFock= 12  Conv=0.82D-08     -V/T= 2.0115
 KE= 4.577738861380D+02 PE=-2.290891065977D+03 EE= 7.613191890714D+02
 Leave Link  502 at Fri Jul 23 18:11:23 2021, MaxMem= 10737418240 cpu:             975.1 elap:              61.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   319
 NBasis=   319 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    319 NOA=    40 NOB=    40 NVA=   279 NVB=   279

 **** Warning!!: The largest alpha MO coefficient is  0.74377664D+02

 Leave Link  801 at Fri Jul 23 18:11:24 2021, MaxMem= 10737418240 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6946 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.86D-13 8.33D-09 XBig12= 1.00D+00 4.38D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.86D-13 8.33D-09 XBig12= 1.86D-01 8.17D-02.
     11 vectors produced by pass  2 Test12= 1.86D-13 8.33D-09 XBig12= 3.62D-02 6.82D-02.
     11 vectors produced by pass  3 Test12= 1.86D-13 8.33D-09 XBig12= 2.87D-03 1.57D-02.
     11 vectors produced by pass  4 Test12= 1.86D-13 8.33D-09 XBig12= 3.60D-04 5.12D-03.
     11 vectors produced by pass  5 Test12= 1.86D-13 8.33D-09 XBig12= 2.38D-05 8.64D-04.
     11 vectors produced by pass  6 Test12= 1.86D-13 8.33D-09 XBig12= 6.26D-07 1.45D-04.
     11 vectors produced by pass  7 Test12= 1.86D-13 8.33D-09 XBig12= 2.22D-08 1.93D-05.
     11 vectors produced by pass  8 Test12= 1.86D-13 8.33D-09 XBig12= 6.16D-10 3.39D-06.
     11 vectors produced by pass  9 Test12= 1.86D-13 8.33D-09 XBig12= 1.54D-11 6.21D-07.
      8 vectors produced by pass 10 Test12= 1.86D-13 8.33D-09 XBig12= 2.91D-13 1.24D-07.
      3 vectors produced by pass 11 Test12= 1.86D-13 8.33D-09 XBig12= 1.71D-14 1.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.91D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.146032D+03
      2 -0.224600D+01  0.127887D+03
      3  0.268167D+01 -0.395239D+01  0.846554D+02
 Isotropic polarizability for W=    0.085645      119.52 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.140313D+03  0.138578D+02  0.280490D+01
      2  -0.713881D+02  0.594105D+01  0.942532D+01
      3  -0.689253D+02 -0.197988D+02 -0.122302D+02
      4   0.497284D+02  0.673419D+02 -0.275168D+02
      5   0.237382D+01 -0.287979D+02 -0.174295D+02
      6  -0.130362D+02  0.798727D+01  0.154295D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.209791D+01 -0.534849D+01 -0.114271D+02
      2   0.734029D+01 -0.121127D+02 -0.495630D+01
      3   0.546391D+01 -0.491916D+02  0.922843D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.128106D+01 -0.143804D+01 -0.352283D+02
      2   0.431078D+00 -0.144806D+02  0.514958D+02
      3   0.358707D+02 -0.138730D+03  0.157617D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.176239D+01 -0.623820D+00  0.157108D+01
      2  -0.623820D+00  0.204302D+01  0.263270D+01
      3   0.157108D+01  0.263270D+01 -0.106696D+01
 OR G Eigenvalues:    -3.8906    -0.4530     3.5572  Iso=     0.2621
 Eigenvectors:
   (1)  -0.619415  -0.371889   0.691393
   (2)   0.783553  -0.347465   0.515085
   (3)   0.048681   0.860794   0.506619
 w=    0.085645 a.u., Optical Rotation Beta=      0.2621 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =       83.88 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   51040 ScalPx= 4.44D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   51040 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.71D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.10D-14 2.78D-09 XBig12= 1.00D+00 2.96D-01.
     30 vectors produced by pass  1 Test12= 3.10D-14 2.78D-09 XBig12= 3.93D-02 4.72D-02.
     30 vectors produced by pass  2 Test12= 3.10D-14 2.78D-09 XBig12= 4.21D-03 9.84D-03.
     30 vectors produced by pass  3 Test12= 3.10D-14 2.78D-09 XBig12= 6.07D-05 1.25D-03.
     30 vectors produced by pass  4 Test12= 3.10D-14 2.78D-09 XBig12= 1.14D-06 1.88D-04.
     30 vectors produced by pass  5 Test12= 3.10D-14 2.78D-09 XBig12= 1.97D-08 2.29D-05.
     30 vectors produced by pass  6 Test12= 3.10D-14 2.78D-09 XBig12= 2.09D-10 1.53D-06.
     30 vectors produced by pass  7 Test12= 3.10D-14 2.78D-09 XBig12= 1.65D-12 1.68D-07.
     18 vectors produced by pass  8 Test12= 3.10D-14 2.78D-09 XBig12= 1.66D-14 1.29D-08.
      4 vectors produced by pass  9 Test12= 3.10D-14 2.78D-09 XBig12= 2.82D-15 8.03D-09.
      4 vectors produced by pass 10 Test12= 3.10D-14 2.78D-09 XBig12= 2.45D-15 6.58D-09.
      2 vectors produced by pass 11 Test12= 3.10D-14 2.78D-09 XBig12= 2.10D-15 5.28D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   268 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   51040 ScalPx= 1.17D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   51040 ScalPx= 1.17D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   51040 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.08D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146032D+03 -0.224600D+01  0.268167D+01
      2  -0.224600D+01  0.127887D+03 -0.395239D+01
      3   0.268167D+01 -0.395239D+01  0.846554D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.209791D+01 -0.534849D+01 -0.114271D+02
      2   0.734029D+01 -0.121127D+02 -0.495630D+01
      3   0.546391D+01 -0.491916D+02  0.922843D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.140313D+03  0.138578D+02  0.280490D+01
      2  -0.713881D+02  0.594105D+01  0.942532D+01
      3  -0.689253D+02 -0.197988D+02 -0.122302D+02
      4   0.497284D+02  0.673419D+02 -0.275168D+02
      5   0.237382D+01 -0.287979D+02 -0.174295D+02
      6  -0.130362D+02  0.798727D+01  0.154295D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.208334D+01  0.183809D+01 -0.297990D+00  0.427517D+01 -0.905432D+00
      2   0.183809D+01  0.193453D+01 -0.562013D+00 -0.905432D+00  0.249803D+01
      3  -0.297990D+00 -0.562013D+00  0.184868D+01  0.946405D+00  0.841560D+00
                 6             7             8             9            10 
      1   0.946405D+00 -0.140216D+01  0.738962D+00  0.408836D+01  0.516722D+01
      2   0.841560D+00  0.738962D+00  0.708190D+00  0.285990D+01 -0.115614D+01
      3   0.127615D+01  0.408836D+01  0.285990D+01 -0.466966D+00 -0.378340D+00
                11            12            13            14            15 
      1  -0.115614D+01 -0.378340D+00 -0.204218D+01 -0.129846D+01  0.104191D+01
      2   0.248957D+01 -0.184242D+00 -0.129846D+01 -0.254900D+01 -0.677482D+00
      3  -0.184242D+00  0.195866D+01  0.104191D+01 -0.677482D+00 -0.462203D+00
                16            17            18            19            20 
      1   0.402873D-01  0.122276D+01  0.499528D+01  0.186201D+00 -0.477674D+01
      2   0.122276D+01  0.118577D+00 -0.134191D+01 -0.477674D+01  0.346503D-02
      3   0.499528D+01 -0.134191D+01  0.111879D+01  0.252975D+00 -0.140188D+00
                21            22            23            24            25 
      1   0.252975D+00  0.434323D+01 -0.112024D+01 -0.722731D-01 -0.612274D+00
      2  -0.140188D+00 -0.112024D+01  0.206195D+01  0.876520D+00 -0.893147D+00
      3  -0.423686D+00 -0.722731D-01  0.876520D+00  0.148809D+01  0.442376D-01
                26            27            28            29            30 
      1  -0.893147D+00  0.442376D-01 -0.116042D+02  0.555934D+01 -0.292049D+00
      2   0.118614D+01  0.347512D+01  0.555934D+01 -0.566820D+01  0.222291D+00
      3   0.347512D+01 -0.220589D+01 -0.292049D+00  0.222291D+00 -0.141917D+01
                31            32            33            34            35 
      1   0.952579D+01  0.152404D+01 -0.685540D+00 -0.191984D+01 -0.927164D+00
      2   0.152404D+01  0.237964D+01 -0.199101D+00 -0.927164D+00 -0.179738D+00
      3  -0.685540D+00 -0.199101D+00  0.387526D+00 -0.307359D+01  0.181680D+01
                36            37            38            39            40 
      1  -0.307359D+01 -0.139631D+01 -0.437179D+01  0.463714D+00 -0.127887D+02
      2   0.181680D+01 -0.437179D+01 -0.654208D+01  0.396371D+00 -0.255597D+01
      3  -0.887901D+00  0.463714D+00  0.396371D+00 -0.994537D+00 -0.437610D+00
                41            42            43            44            45 
      1  -0.255597D+01 -0.437610D+00  0.289044D+01 -0.180785D+00 -0.202182D+01
      2  -0.553938D+01 -0.241872D+00 -0.180785D+00 -0.513206D+00 -0.275886D+01
      3  -0.241872D+00 -0.797003D+00 -0.202182D+01 -0.275886D+01  0.559380D+00
                46            47            48            49            50 
      1  -0.297236D+01  0.360158D+01 -0.292096D+00 -0.382100D+01  0.450707D+00
      2   0.360158D+01  0.273341D+01  0.402758D+00  0.450707D+00 -0.138362D+01
      3  -0.292096D+00  0.402758D+00 -0.140542D+00  0.382522D-01 -0.760008D+00
                51            52            53            54            55 
      1   0.382522D-01  0.343975D+00  0.517704D+00  0.135989D+01  0.179625D+01
      2  -0.760008D+00  0.517704D+00 -0.132647D+01 -0.344633D+01 -0.738916D+00
      3  -0.148541D+01  0.135989D+01 -0.344633D+01  0.192091D+01 -0.297385D+00
                56            57            58            59            60 
      1  -0.738916D+00 -0.297385D+00 -0.254355D+01  0.431921D+01  0.127931D+01
      2   0.297034D+01  0.153986D+01  0.431921D+01 -0.170820D+01  0.184482D+01
      3   0.153986D+01  0.163588D+01  0.127931D+01  0.184482D+01 -0.380635D+01
                61            62            63            64            65 
      1  -0.205723D+01  0.197132D+01  0.339942D+01  0.654917D+01 -0.250619D+01
      2   0.197132D+01  0.738466D+00 -0.480357D+01 -0.250619D+01 -0.156340D+01
      3   0.339942D+01 -0.480357D+01  0.140707D+01 -0.453701D-01 -0.946399D+00
                66            67            68            69            70 
      1  -0.453701D-01 -0.367822D+01 -0.917494D+00 -0.976136D+00 -0.402999D+00
      2  -0.946399D+00 -0.917494D+00  0.252987D+00 -0.144018D+01 -0.379644D+00
      3  -0.193364D+01 -0.976136D+00 -0.144018D+01  0.158909D+01 -0.430429D-01
                71            72            73            74            75 
      1  -0.379644D+00 -0.430429D-01 -0.599928D+01 -0.667093D+00  0.976507D+00
      2  -0.950897D+00  0.336059D+01 -0.667093D+00  0.846881D+00  0.848049D+00
      3   0.336059D+01  0.593468D+01  0.976507D+00  0.848049D+00  0.713453D-01
                76            77            78            79            80 
      1   0.542608D+00 -0.165154D+01  0.506180D+00  0.133110D+01 -0.225485D-01
      2  -0.165154D+01 -0.306028D+01  0.123687D+01 -0.225485D-01  0.140083D+01
      3   0.506180D+00  0.123687D+01  0.473635D-01 -0.126333D+01 -0.191732D+01
                81            82            83            84            85 
      1  -0.126333D+01  0.272535D+01  0.576068D-01  0.263452D-01  0.165869D+01
      2  -0.191732D+01  0.576068D-01 -0.761980D+00 -0.289367D+00  0.376387D+01
      3   0.501447D+00  0.263452D-01 -0.289367D+00 -0.659054D+00  0.446077D+00
                86            87            88            89            90 
      1   0.376387D+01  0.446077D+00  0.480214D+00  0.103540D+01  0.121774D+01
      2   0.835778D+01  0.590609D+00  0.103540D+01  0.192848D+01  0.617996D+01
      3   0.590609D+00  0.345439D+01  0.121774D+01  0.617996D+01  0.637798D+00
                91            92            93            94            95 
      1   0.773668D+01  0.434347D+01 -0.372600D+00  0.436872D+01  0.405449D+01
      2   0.434347D+01  0.310934D+01 -0.203259D+00  0.405449D+01  0.435099D+01
      3  -0.372600D+00 -0.203259D+00  0.741097D+00 -0.551626D+00 -0.444810D+00
                96            97            98            99           100 
      1  -0.551626D+00 -0.298065D+00 -0.411709D+00  0.318418D-01  0.119556D+02
      2  -0.444810D+00 -0.411709D+00 -0.638552D+00  0.793810D-01 -0.287574D+01
      3   0.667372D+00  0.318418D-01  0.793810D-01 -0.117517D+00  0.121480D+01
               101           102           103           104           105 
      1  -0.287574D+01  0.121480D+01 -0.291090D+01  0.229402D+01 -0.588965D+00
      2   0.143673D+01 -0.287436D+00  0.229402D+01 -0.136655D+01  0.307981D+00
      3  -0.287436D+00  0.103724D+01 -0.588965D+00  0.307981D+00 -0.397184D+00
               106           107           108           109           110 
      1   0.154796D+01 -0.612337D+00  0.156865D+00 -0.500110D+00  0.129621D+01
      2  -0.612337D+00  0.417673D+00 -0.112080D+00  0.129621D+01 -0.942153D+00
      3   0.156865D+00 -0.112080D+00  0.190821D+00 -0.217908D+00  0.255432D+00
               111           112           113           114           115 
      1  -0.217908D+00  0.113719D+01 -0.507201D+00  0.332145D-01 -0.223681D+00
      2   0.255432D+00 -0.507201D+00  0.941402D+01 -0.168226D+01  0.256559D+00
      3  -0.116828D+00  0.332145D-01 -0.168226D+01  0.119279D+01  0.612920D-01
               116           117           118           119           120 
      1   0.256559D+00  0.612920D-01  0.105483D+01 -0.168566D+01  0.358265D+00
      2  -0.187190D+01  0.408104D+00 -0.168566D+01  0.165175D+01 -0.332423D+00
      3   0.408104D+00 -0.276076D+00  0.358265D+00 -0.332423D+00  0.321498D+00
               121           122           123           124           125 
      1  -0.167972D+01  0.237037D+01 -0.445834D+00  0.243554D+00 -0.510180D+00
      2   0.237037D+01 -0.973883D+01  0.166971D+01 -0.510180D+00  0.189232D+01
      3  -0.445834D+00  0.166971D+01 -0.118650D+01  0.198662D+00 -0.433196D+00
               126           127           128           129           130 
      1   0.198662D+00 -0.230344D+00  0.862478D+00 -0.109369D+01  0.225970D+01
      2  -0.433196D+00  0.862478D+00 -0.527322D+00  0.663532D-01 -0.191365D+01
      3   0.274910D+00 -0.109369D+01  0.663532D-01 -0.618177D+00  0.480614D+00
               131           132           133           134           135 
      1  -0.191365D+01  0.480614D+00 -0.177843D+01  0.828420D+00 -0.155125D+01
      2   0.428070D+01 -0.241316D+01  0.828420D+00 -0.278669D+01  0.317284D+01
      3  -0.241316D+01  0.282371D+01 -0.155125D+01  0.317284D+01 -0.508131D+01
               136           137           138           139           140 
      1   0.564781D+01 -0.468922D+01  0.185651D+00 -0.243745D+01 -0.194415D+01
      2  -0.468922D+01 -0.101461D+01 -0.205806D+01 -0.194415D+01 -0.944324D+00
      3   0.185651D+00 -0.205806D+01 -0.124951D+01 -0.223357D+01 -0.115910D+01
               141           142           143           144           145 
      1  -0.223357D+01  0.419993D+01 -0.373672D+01 -0.208293D+01 -0.467437D+00
      2  -0.115910D+01 -0.373672D+01  0.449273D+00  0.367911D+01 -0.726833D-01
      3   0.330801D+01 -0.208293D+01  0.367911D+01 -0.828600D+00 -0.932716D+00
               146           147           148           149           150 
      1  -0.726833D-01 -0.932716D+00 -0.164267D+00 -0.150286D+00 -0.339291D+00
      2   0.537561D+00  0.264722D+00 -0.150286D+00 -0.143775D+01 -0.158779D+01
      3   0.264722D+00  0.111912D+01 -0.339291D+00 -0.158779D+01 -0.223586D+01
               151           152           153           154           155 
      1  -0.150190D+01 -0.281781D+00 -0.158007D+01 -0.116780D+02  0.138569D+01
      2  -0.281781D+00 -0.170794D+01 -0.190566D+01  0.138569D+01 -0.124354D+01
      3  -0.158007D+01 -0.190566D+01 -0.857713D+01 -0.107521D+01  0.118502D+00
               156           157           158           159           160 
      1  -0.107521D+01  0.233006D+01 -0.145562D+01  0.361455D+00  0.349432D+00
      2   0.118502D+00 -0.145562D+01  0.874723D+00  0.157728D-01  0.561417D-01
      3  -0.115431D+01  0.361455D+00  0.157728D-01  0.971652D-01 -0.125018D+01
               161           162           163           164           165 
      1   0.561417D-01 -0.125018D+01 -0.676470D+00 -0.987962D+00 -0.920263D+00
      2   0.264413D+00 -0.537128D-01 -0.987962D+00  0.242788D+00 -0.725161D-01
      3  -0.537128D-01 -0.548893D+00 -0.920263D+00 -0.725161D-01 -0.245945D+00
               166           167           168           169           170 
      1  -0.158696D+01 -0.167117D+01 -0.438788D+00 -0.258635D+01 -0.129961D+01
      2  -0.167117D+01 -0.718665D+01 -0.270999D+01 -0.129961D+01 -0.556421D+01
      3  -0.438788D+00 -0.270999D+01 -0.210370D+01 -0.856173D+00 -0.427060D+01
               171           172           173           174           175 
      1  -0.856173D+00 -0.143849D-01 -0.477330D+00  0.843054D+00 -0.125496D+01
      2  -0.427060D+01 -0.477330D+00  0.652731D+00 -0.260959D+00 -0.131475D+01
      3  -0.404259D+01  0.843054D+00 -0.260959D+00  0.156987D+00  0.251058D+00
               176           177           178           179           180 
      1  -0.131475D+01  0.251058D+00  0.166623D+01  0.748300D+00 -0.613136D+00
      2  -0.612337D+01  0.265649D+01  0.748300D+00  0.426908D+01 -0.390967D+01
      3   0.265649D+01 -0.236082D+01 -0.613136D+00 -0.390967D+01  0.394485D+01
               181           182           183           184           185 
      1  -0.848099D+00  0.366268D-02  0.760797D+00 -0.932646D+00  0.167510D+00
      2   0.366268D-02  0.920944D-01  0.291271D+00  0.167510D+00 -0.162123D+01
      3   0.760797D+00  0.291271D+00 -0.625016D-01  0.880855D+00  0.996111D+00
               186           187           188           189           190 
      1   0.880855D+00  0.110010D+01  0.365201D+00 -0.981746D+00 -0.100456D+02
      2   0.996111D+00  0.365201D+00  0.147612D+01 -0.122239D+01  0.455062D+01
      3  -0.304550D+01 -0.981746D+00 -0.122239D+01  0.537779D+01  0.720059D+00
               191           192           193           194           195 
      1   0.455062D+01  0.720059D+00  0.357428D+01 -0.259597D+01 -0.346616D-01
      2  -0.311918D+01 -0.410939D+00 -0.259597D+01  0.275599D+01  0.358112D+00
      3  -0.410939D+00 -0.131442D+01 -0.346616D-01  0.358112D+00  0.282374D+00
               196           197           198           199           200 
      1  -0.146857D+01  0.853297D+00 -0.839869D+00  0.153007D+01  0.150674D+01
      2   0.853297D+00 -0.708203D+00  0.151590D+00  0.150674D+01  0.268130D+01
      3  -0.839869D+00  0.151590D+00 -0.193857D+00  0.413451D+00  0.134219D+01
               201           202           203           204           205 
      1   0.413451D+00  0.182509D+01  0.105773D+01  0.538961D+00  0.582600D-01
      2   0.134219D+01  0.105773D+01  0.543236D+01  0.192120D+01  0.661561D+00
      3   0.144181D+01  0.538961D+00  0.192120D+01  0.126649D+01  0.603538D+00
               206           207 
      1   0.661561D+00  0.603538D+00
      2   0.139825D+01  0.991899D+00
      3   0.991899D+00  0.135829D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.628685D+00 -0.703349D+00 -0.247924D+01 -0.171075D+01  0.861713D+00
      2  -0.128832D+01 -0.657659D+00  0.458669D+01  0.255291D+01  0.210069D+01
      3  -0.487933D+01 -0.122757D+02  0.137590D+01  0.731073D+01 -0.306869D+00
                 6             7             8             9            10 
      1  -0.367592D+00 -0.787317D+01  0.596824D+01 -0.220694D+01 -0.484657D+00
      2   0.417664D+01  0.159751D+01  0.109685D+02 -0.194515D+01  0.714901D+00
      3  -0.170960D+01 -0.155083D+01 -0.316188D+01 -0.426324D+01  0.405918D+01
                11            12            13            14            15 
      1  -0.356209D+00  0.120286D+01 -0.240292D+00  0.206711D+01  0.753851D+00
      2  -0.227070D+00  0.583713D+01  0.367577D+01 -0.878276D+00 -0.192744D+01
      3  -0.988739D+01  0.629523D+00  0.106239D+02 -0.354485D+00  0.233523D+01
                16            17            18            19            20 
      1   0.485112D+01  0.106659D+02 -0.132299D+01  0.495579D+00  0.905618D+00
      2   0.831843D+01 -0.617877D+01  0.302755D+01  0.294185D+01 -0.330324D+01
      3  -0.286701D+01  0.188807D+01  0.198783D+01  0.545187D+01 -0.643396D+01
                21            22            23            24            25 
      1   0.173530D+01  0.133788D+00 -0.513391D+00 -0.265199D+01  0.252499D+01
      2  -0.729436D+00 -0.173911D+01 -0.307091D+00  0.295354D+01 -0.138354D+02
      3   0.237447D+01  0.427027D+01 -0.867049D+01 -0.292481D+00  0.272118D+01
                26            27            28            29            30 
      1   0.335174D+00  0.138522D+01 -0.633640D+00 -0.395593D+00  0.103862D+01
      2   0.508952D+01 -0.388916D+01 -0.133810D+01  0.239653D+01 -0.240993D+01
      3  -0.215709D+01 -0.739414D+01 -0.645828D+00  0.110676D+02 -0.106794D+01
                31            32            33            34            35 
      1  -0.735276D+00  0.202288D+01 -0.419943D+00  0.255156D+01  0.918040D+01
      2   0.209391D+01 -0.987650D+00  0.559434D-01 -0.144972D+02  0.127657D+01
      3   0.125337D+02 -0.109127D+02 -0.187804D+01  0.135022D+01  0.306443D+01
                36            37            38            39            40 
      1  -0.949360D+00  0.136618D+01 -0.540880D+00 -0.255873D+00 -0.153852D+01
      2  -0.936762D+00  0.100970D+01  0.743078D+00 -0.145350D+01 -0.276556D+01
      3  -0.233866D+01 -0.655915D+01  0.677864D+01 -0.262607D+01  0.116187D+02
                41            42            43            44            45 
      1   0.866479D-01 -0.737138D+00 -0.376176D+01  0.791358D+01 -0.617120D+00
      2   0.321381D+01 -0.730743D+00 -0.135806D+02 -0.628091D+00 -0.879258D+00
      3   0.169830D+02  0.109883D+01 -0.142979D+00 -0.252269D+01  0.382612D+01
                46            47            48            49            50 
      1  -0.123925D-01  0.628969D+00 -0.847242D+00  0.133257D+01 -0.490525D+00
      2  -0.978801D+00 -0.174364D+01  0.192065D+00 -0.236221D+01 -0.191144D+01
      3  -0.862291D+00 -0.129803D+02  0.171244D+01 -0.110093D-01  0.560200D+01
                51            52            53            54            55 
      1  -0.210558D+01  0.204318D+01  0.837843D+00  0.143882D+00  0.601075D+00
      2  -0.397862D+01 -0.105406D+02 -0.919153D+01  0.327869D+01 -0.616307D+00
      3   0.830585D+00  0.157699D+01  0.147860D+01  0.703538D+01  0.293530D+01
                56            57            58            59            60 
      1  -0.299230D+01 -0.257250D+01 -0.178180D+01 -0.369974D+01  0.917288D+00
      2  -0.120250D+01  0.130382D+01 -0.317610D+01  0.265687D+00  0.636188D+01
      3  -0.155238D+01  0.171217D+01  0.122166D+02  0.608938D+01  0.638185D+01
                61            62            63            64            65 
      1  -0.681435D+01  0.926404D+01  0.752491D-01  0.281431D+01  0.171405D+01
      2  -0.113670D+02  0.936342D+01 -0.846057D-01  0.818664D+01 -0.181209D+01
      3   0.102357D+00  0.659080D+01 -0.473522D+01 -0.106585D+02 -0.719202D+01
                66            67            68            69            70 
      1   0.149146D+01 -0.406727D+00  0.237131D+01  0.152473D+01  0.227624D+01
      2   0.598407D+01 -0.228274D+01  0.192559D+01 -0.602070D+01 -0.235009D+01
      3  -0.313196D+01 -0.509575D+01  0.270506D+01 -0.505953D+01  0.837464D+00
                71            72            73            74            75 
      1   0.190560D+01 -0.229908D+01  0.564937D+00  0.790521D+00  0.355240D+00
      2  -0.100323D+02 -0.153183D+02  0.145470D+01 -0.120872D+01  0.590830D+01
      3  -0.334103D+01  0.742528D+01  0.135862D+02 -0.639581D+01  0.100945D+01
                76            77            78            79            80 
      1  -0.861500D+00  0.203073D+01 -0.738831D+01 -0.438207D+01  0.162858D+01
      2   0.488621D-02 -0.404176D+01 -0.230447D+00 -0.305889D+01  0.528651D+01
      3   0.314262D+01 -0.606375D+01  0.523111D+01 -0.259085D+01  0.746364D+01
                81            82            83            84            85 
      1   0.398787D+01 -0.654580D-01  0.412640D+00 -0.369283D+01  0.134956D+01
      2  -0.195277D+01 -0.236458D+01  0.595272D+00 -0.169595D+01  0.609317D+00
      3  -0.235202D+01 -0.560878D+01 -0.861582D-01 -0.949693D+00  0.786320D+01
                86            87            88            89            90 
      1   0.173843D+01  0.883033D+01  0.625340D+01  0.210382D+02  0.139332D+01
      2  -0.301307D+00 -0.432627D+00 -0.562503D+01 -0.468151D+01 -0.590751D-01
      3  -0.527593D+01 -0.884436D+00 -0.245656D+01 -0.273886D+01  0.311794D+01
                91            92            93            94            95 
      1  -0.210250D+00 -0.425781D+00 -0.231812D+01  0.307418D+00 -0.102719D+00
      2   0.400481D+00  0.296668D+00  0.412926D+01 -0.947692D+00 -0.767340D+00
      3  -0.253801D+01 -0.610528D+01  0.608117D-01 -0.513152D+01 -0.911254D+01
                96            97            98            99           100 
      1  -0.235700D+01  0.117630D+01  0.102880D+01  0.157290D+00  0.225136D+00
      2   0.336412D+01 -0.159664D+01 -0.933839D+00 -0.205325D+00  0.184863D+01
      3   0.637220D+00  0.816663D+00  0.132840D+01 -0.626831D-01  0.254510D+01
               101           102           103           104           105 
      1   0.409764D+00  0.143035D+01 -0.725672D-01 -0.129654D+00 -0.810551D+00
      2  -0.441359D+00  0.613188D+01 -0.164599D+01  0.814355D+00 -0.217154D+01
      3  -0.589094D+01  0.275461D+00 -0.492452D+01  0.378295D+01 -0.686761D+00
               106           107           108           109           110 
      1  -0.750425D+00  0.472742D+00  0.204574D+00 -0.300059D+00  0.128815D+00
      2  -0.221504D+01  0.537121D+00  0.606123D+00 -0.727733D+00  0.683499D+00
      3   0.110429D+01 -0.121039D+01  0.223976D+00 -0.441321D+01  0.368933D+01
               111           112           113           114           115 
      1   0.699320D+00  0.384686D+00 -0.902926D+00 -0.457588D+01 -0.284963D+00
      2  -0.103257D+00  0.997774D+00 -0.241645D+01  0.111225D+01 -0.126337D+01
      3  -0.616876D+00  0.612789D+01 -0.148373D+02  0.264998D+01 -0.130173D+01
               116           117           118           119           120 
      1   0.209712D+01  0.588238D+00  0.329678D-01 -0.178412D+00  0.974896D+00
      2   0.378591D+00 -0.966987D-01  0.450883D+00 -0.226869D+00  0.788221D+00
      3   0.315700D+01 -0.131499D+00  0.175832D+01 -0.656486D+00  0.147154D+00
               121           122           123           124           125 
      1  -0.263602D+00 -0.267488D+00 -0.462056D+01 -0.891430D-01  0.182582D+01
      2  -0.433988D-01  0.312433D+01 -0.276292D+01 -0.106807D+01 -0.154243D-01
      3   0.134393D+01  0.164117D+02 -0.276311D+01 -0.220039D+00 -0.332592D+01
               126           127           128           129           130 
      1   0.667511D+00  0.885124D+00  0.405441D+00  0.837525D+00 -0.177197D+00
      2   0.424613D+00  0.149556D+01  0.106378D+00  0.102897D+01  0.952260D+00
      3  -0.239934D-01  0.221072D+01 -0.190635D+01 -0.136583D+01  0.171095D+01
               131           132           133           134           135 
      1  -0.493187D-01 -0.382289D+01  0.201736D+01 -0.155633D+00  0.491932D+01
      2   0.252445D+01 -0.414410D+01 -0.679376D+00 -0.413208D+01  0.648824D+01
      3   0.502903D+01 -0.384641D+01 -0.208993D+01 -0.487168D+01  0.425677D+01
               136           137           138           139           140 
      1  -0.594883D+01  0.212932D+01  0.544620D+00  0.514409D+01 -0.608576D+00
      2  -0.663692D+01  0.104704D+02  0.540988D+01  0.968346D+01  0.295757D+01
      3   0.173141D+01 -0.159841D+02 -0.430648D+01 -0.933120D+01 -0.725192D+01
               141           142           143           144           145 
      1  -0.124688D+02  0.839050D+00 -0.761911D+01  0.515240D+01  0.733453D-01
      2  -0.434702D+01  0.241771D+01 -0.528185D+01  0.282762D+01  0.247543D+01
      3  -0.826609D+01 -0.216680D+01 -0.908917D+01  0.437243D+01  0.572444D+00
               146           147           148           149           150 
      1  -0.160490D+01  0.150795D+00 -0.272760D+00  0.246863D+01  0.250407D+00
      2  -0.346420D+00 -0.283150D+01 -0.605079D+00  0.354695D+01  0.471938D+01
      3   0.173557D+01  0.472678D+00  0.268729D+01 -0.374900D+01 -0.344665D+01
               151           152           153           154           155 
      1  -0.231822D-01  0.502862D+01  0.534443D+00 -0.108995D+01  0.143129D+01
      2  -0.138200D+01  0.423656D+01  0.191167D+02 -0.751621D+01  0.824871D+00
      3   0.492493D+00 -0.487858D+01 -0.310831D+01  0.441988D+01 -0.720689D+01
               156           157           158           159           160 
      1   0.206238D+00  0.120965D+01 -0.109019D+01 -0.870413D+00 -0.364951D+00
      2   0.506228D+01  0.122991D+01 -0.111112D+01 -0.484702D+00  0.249179D+01
      3   0.513567D+00 -0.296695D+01  0.337020D+01  0.511234D+00  0.568275D+00
               161           162           163           164           165 
      1   0.420577D+00  0.408047D+00 -0.258207D+01  0.131912D+00 -0.480281D+00
      2   0.363379D+00  0.241296D+00 -0.356961D+00 -0.364269D+00  0.133490D+01
      3   0.137248D+01 -0.167587D+00  0.195221D+01  0.134854D+01  0.288139D+01
               166           167           168           169           170 
      1  -0.155910D+01 -0.533242D+01 -0.710087D+01 -0.258151D+01 -0.873592D+01
      2  -0.266394D+00  0.114803D+01  0.123277D+01 -0.444269D+00  0.226838D+01
      3   0.360911D+01 -0.248242D+01 -0.125856D+01  0.736491D+01 -0.725430D+00
               171           172           173           174           175 
      1  -0.105458D+02  0.176946D+01 -0.210507D+00  0.514768D+00  0.974714D+00
      2   0.171651D+01 -0.464691D-01  0.355141D+00  0.416729D+00  0.644040D+00
      3  -0.192665D+01 -0.580494D+00 -0.103111D+01 -0.223171D+01  0.286118D+01
               176           177           178           179           180 
      1   0.461441D+01 -0.674947D+01 -0.185398D+01 -0.718837D+01  0.956889D+01
      2  -0.217836D+01  0.177162D+01 -0.140445D+01  0.255523D+01 -0.275804D+01
      3  -0.228075D+01  0.225959D+01 -0.472194D+01  0.272371D+01 -0.287383D+01
               181           182           183           184           185 
      1  -0.146031D+01 -0.232802D+00  0.680293D+00 -0.124803D+01 -0.650055D+01
      2  -0.715096D+00 -0.444247D+00  0.818573D-01  0.206331D+00 -0.227170D+01
      3  -0.133611D+01 -0.291547D+00  0.173146D+01 -0.206780D+00 -0.415013D+01
               186           187           188           189           190 
      1   0.618478D+01  0.197642D+01  0.688697D+01 -0.116527D+02  0.198112D+01
      2   0.544065D+01 -0.171319D+01  0.259356D+01 -0.955309D+01  0.696435D+01
      3   0.360411D+01  0.246058D+01  0.426248D+01 -0.462102D+01 -0.118711D+02
               191           192           193           194           195 
      1  -0.204551D+01  0.356825D+01 -0.187409D+01  0.160509D+01 -0.123412D+01
      2  -0.266814D+01  0.519473D+01 -0.303410D+01  0.100266D+01 -0.151119D+01
      3  -0.510856D+00  0.238812D+00  0.347547D+01  0.155287D+01  0.766047D+00
               196           197           198           199           200 
      1   0.183380D+01  0.395845D+00  0.556944D+00  0.134970D+01  0.597903D+00
      2   0.114881D+01 -0.313197D+00  0.128560D+01 -0.401604D+01 -0.380034D+01
      3  -0.823193D+00  0.307223D+00 -0.173605D+01  0.985359D+01  0.782259D+01
               201           202           203           204           205 
      1  -0.278443D+01  0.564118D+00  0.179526D+01 -0.250902D+01 -0.687306D+00
      2  -0.183850D+01 -0.378219D+01 -0.545165D+01 -0.244673D+01 -0.238316D+01
      3   0.313533D+01  0.930235D+01  0.127982D+02  0.512621D+01  0.153645D+01
               206           207 
      1   0.749968D+00 -0.212333D+01
      2  -0.240488D+01 -0.267510D+01
      3   0.438591D+01  0.348917D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.928889D+00 -0.169629D+02  0.280303D+01  0.299141D+02 -0.277220D-01
      2  -0.256493D+01  0.123504D+02  0.401592D+00 -0.270832D+02 -0.372859D+01
      3   0.349382D+01  0.461258D+01 -0.320462D+01 -0.283093D+01  0.375631D+01
      4  -0.178215D+02  0.157498D+02 -0.414556D+01 -0.833823D+00 -0.175811D+02
      5  -0.157100D+01 -0.255497D+01  0.973457D+01  0.718768D+01  0.588612D+01
      6  -0.223553D+01 -0.214289D+01  0.599780D+01  0.637143D+01  0.266660D+01
                 6             7             8             9            10 
      1   0.219502D+01 -0.895510D+01 -0.159215D+01  0.109363D+02 -0.399763D+01
      2  -0.269446D+01  0.100861D+02  0.352263D+01 -0.138524D+02  0.252992D+01
      3   0.499436D+00 -0.113098D+01 -0.193048D+01  0.291610D+01  0.146771D+01
      4   0.887261D+01  0.245442D+01  0.928149D+01  0.146664D+02  0.909114D+01
      5   0.893974D+01  0.289329D+02  0.165820D+02 -0.505938D+01 -0.573891D+01
      6   0.151737D+01  0.918148D+01  0.975675D+01  0.293820D+01 -0.750158D+00
                11            12            13            14            15 
      1   0.538790D+01 -0.549683D+01 -0.211924D+02 -0.199047D+02  0.574597D+01
      2  -0.285918D+01  0.242567D+01  0.183982D+02  0.183814D+02 -0.639598D+01
      3  -0.252872D+01  0.307116D+01  0.279420D+01  0.152336D+01  0.650003D+00
      4   0.226476D+02 -0.497039D+00 -0.181983D+02  0.157251D+02 -0.730202D+01
      5   0.547298D+00  0.127511D+02  0.970003D+01 -0.381298D+01 -0.433564D+01
      6   0.190550D+00 -0.301315D+01 -0.537936D+01 -0.202343D+01 -0.151474D+01
                16            17            18            19            20 
      1  -0.293439D+01  0.785746D+01  0.167982D+02  0.111031D+02 -0.209707D+01
      2  -0.223110D+01 -0.515282D+01 -0.196949D+02 -0.841237D+01 -0.205373D+01
      3   0.516550D+01 -0.270464D+01  0.289675D+01 -0.269070D+01  0.415081D+01
      4   0.118991D+02 -0.491116D+01 -0.538640D+01  0.758882D+01 -0.257378D+02
      5   0.360145D+02 -0.855435D+01  0.621905D+01  0.263988D+01  0.214678D+01
      6  -0.392262D+01  0.476926D+01  0.195272D+01  0.225466D+01 -0.408723D+00
                21            22            23            24            25 
      1   0.868328D+00  0.879636D+01  0.929555D+01 -0.488097D+01  0.146753D+01
      2  -0.108727D+01 -0.141011D+01 -0.151620D+02  0.672702D+01 -0.217078D+01
      3   0.218938D+00 -0.738625D+01  0.586642D+01 -0.184605D+01  0.703252D+00
      4   0.380074D+01  0.170860D+02  0.892367D+01  0.833022D+00 -0.144616D+01
      5  -0.338703D+01 -0.106742D+01  0.374027D+00  0.415822D+01  0.244961D+01
      6  -0.289623D+01 -0.160025D+01  0.102033D+02  0.458106D+01  0.988442D+00
                26            27            28            29            30 
      1  -0.435758D+01 -0.140320D+02 -0.331492D+02  0.133744D+02 -0.155741D+01
      2   0.104452D+02  0.167708D+01  0.194571D+02 -0.709980D+01 -0.127669D+00
      3  -0.608766D+01  0.123550D+02  0.136921D+02 -0.627457D+01  0.168508D+01
      4  -0.203871D+01  0.115078D+02 -0.110994D+02  0.928922D+01 -0.404351D+00
      5   0.105821D+02 -0.791900D+01 -0.308287D+01  0.119265D+01 -0.253267D+01
      6   0.153206D+02 -0.581681D+01  0.208557D+01 -0.143353D+00 -0.171276D+01
                31            32            33            34            35 
      1   0.122491D+02 -0.197862D+01  0.475271D+00 -0.675653D+01  0.217811D+01
      2  -0.386587D+01  0.512291D+01 -0.282483D+01 -0.729683D+00 -0.163510D+01
      3  -0.838321D+01 -0.314429D+01  0.234956D+01  0.748621D+01 -0.543013D+00
      4  -0.442127D+01  0.731788D+01 -0.148565D+01  0.404372D+01 -0.278871D+01
      5   0.170814D+01 -0.109063D+01 -0.633908D+00  0.111644D+01  0.215312D+00
      6  -0.652849D+01 -0.244289D+01  0.187432D+01 -0.139951D+01  0.677878D+01
                36            37            38            39            40 
      1  -0.120936D+02 -0.177716D+02 -0.276309D+02  0.245259D+01 -0.167214D+02
      2  -0.590730D+00  0.152984D+02  0.214391D+02  0.351769D+00  0.549423D+01
      3   0.126843D+02  0.247318D+01  0.619174D+01 -0.280436D+01  0.112271D+02
      4  -0.260890D+01 -0.488536D+01  0.139132D+01 -0.988817D+00  0.579000D+00
      5  -0.118747D+01  0.243632D+01  0.100144D+01 -0.111594D+01  0.510634D+00
      6   0.165740D+01 -0.275552D+01 -0.337196D+00  0.471030D+00  0.812873D+01
                41            42            43            44            45 
      1  -0.109127D+02 -0.343512D+00  0.204511D+01 -0.198709D+01 -0.141630D+02
      2   0.115626D+02 -0.759018D+00  0.237572D+01  0.197642D+01  0.316040D+01
      3  -0.649969D+00  0.110253D+01 -0.442083D+01  0.106652D-01  0.110026D+02
      4  -0.739894D+01  0.280810D+01  0.519452D+00  0.263021D+01 -0.141029D+01
      5   0.313712D+01 -0.192820D+00  0.176358D+01 -0.259209D+01 -0.261877D+00
      6   0.485853D-01  0.151468D+01 -0.295860D+00  0.955374D+01  0.127481D+01
                46            47            48            49            50 
      1   0.120732D+02  0.195659D+02 -0.491501D+00 -0.196945D+02  0.136888D+02
      2  -0.131038D+02 -0.140856D+02  0.400883D+00  0.154018D+02 -0.195432D+02
      3   0.103060D+01 -0.548035D+01  0.906182D-01  0.429271D+01  0.585437D+01
      4   0.604461D+01 -0.193159D+02  0.500096D+01  0.118845D+02 -0.326439D+01
      5  -0.311471D+01  0.278182D+01 -0.208454D+01 -0.654595D+00 -0.393772D+01
      6   0.509400D+01 -0.141177D+01  0.824636D+00 -0.227980D+01  0.969399D+01
                51            52            53            54            55 
      1  -0.415791D+01  0.301290D+01 -0.222530D+01 -0.667471D+01  0.198695D+02
      2   0.609569D+01 -0.437225D+01  0.901577D+01 -0.262858D+01 -0.100429D+02
      3  -0.193778D+01  0.135935D+01 -0.679046D+01  0.930328D+01 -0.982656D+01
      4  -0.370046D+01  0.124467D+01 -0.793577D+01 -0.154923D+02 -0.308480D+01
      5  -0.732968D+01  0.783496D+01 -0.156983D+02  0.649052D+01  0.205321D+01
      6   0.405524D+01 -0.531729D+01  0.141412D+02 -0.264249D+01 -0.310256D+01
                56            57            58            59            60 
      1  -0.132515D+02 -0.396151D+01 -0.177454D+02  0.393873D+01 -0.841808D+01
      2   0.101371D+02  0.393425D+01  0.117965D+02  0.122393D+01  0.613664D+01
      3   0.311443D+01  0.272588D-01  0.594886D+01 -0.516266D+01  0.228144D+01
      4  -0.661095D+01 -0.422117D+01 -0.134493D+02  0.739574D+01 -0.467550D+01
      5  -0.602259D+01 -0.566306D+01 -0.740835D+01 -0.620225D+01  0.130885D+02
      6   0.385726D+01  0.376723D+01  0.699319D+00  0.730771D+01 -0.155590D+02
                61            62            63            64            65 
      1  -0.111464D+01 -0.728044D+01  0.107814D+02 -0.452387D+02  0.136024D+02
      2   0.443336D+01  0.132916D+01 -0.949325D+01  0.231625D+02 -0.909044D+01
      3  -0.331872D+01  0.595128D+01 -0.128816D+01  0.220762D+02 -0.451191D+01
      4  -0.109446D+02  0.182008D+01  0.189186D+02  0.150967D+02  0.319762D+01
      5  -0.144178D+02  0.177774D+02 -0.243688D+01 -0.689176D+01  0.600068D+01
      6   0.151151D+02 -0.212312D+02  0.943475D+01  0.257270D+01  0.114737D+01
                66            67            68            69            70 
      1  -0.427686D+01  0.179668D+02  0.790064D+01  0.786189D+01  0.157842D+01
      2  -0.163137D+01 -0.109335D+02 -0.111086D+02  0.601610D-01  0.959593D+00
      3   0.590822D+01 -0.703338D+01  0.320796D+01 -0.792205D+01 -0.253801D+01
      4   0.399853D+01 -0.118461D+01  0.177221D+00  0.631044D+01  0.561464D+01
      5   0.624256D+01  0.963747D+01  0.780572D+01 -0.462559D+01 -0.157094D+01
      6   0.811169D+00  0.223953D+01 -0.687087D+00 -0.406112D+01 -0.254276D+01
                71            72            73            74            75 
      1   0.308957D+01  0.139577D+02  0.301000D+02  0.835805D+01  0.983332D-01
      2   0.856943D+01  0.132011D+02 -0.168182D+02 -0.571457D+01 -0.103683D+01
      3  -0.116590D+02 -0.271588D+02 -0.132818D+02 -0.264348D+01  0.938493D+00
      4   0.804219D+00 -0.128913D+02  0.132781D+02  0.118636D+02 -0.471649D+01
      5  -0.125925D+02 -0.234339D+02 -0.505625D+01 -0.303252D+01  0.976361D+01
      6  -0.190218D+01 -0.105543D+02 -0.903437D+00 -0.603305D+01 -0.345071D+01
                76            77            78            79            80 
      1  -0.692490D+01 -0.631115D+01  0.794557D+00 -0.678410D+01 -0.391745D+00
      2   0.842414D+01  0.148186D+02  0.114003D+01  0.490956D+01 -0.383046D+01
      3  -0.149924D+01 -0.850743D+01 -0.193458D+01  0.187454D+01  0.422221D+01
      4   0.125144D+02  0.105547D+02 -0.632546D+01 -0.619101D+01 -0.625461D+01
      5  -0.417303D+01 -0.593932D+01 -0.220173D+01  0.105110D+02  0.731078D+01
      6  -0.506194D+00 -0.226983D+01  0.101412D+02  0.380884D+01  0.947130D+01
                81            82            83            84            85 
      1  -0.600536D+01 -0.119259D+02 -0.372025D+01 -0.596339D+00  0.199470D+02
      2  -0.392472D+01  0.910036D+01  0.616353D+01  0.180374D+01 -0.176024D+02
      3   0.993008D+01  0.282551D+01 -0.244328D+01 -0.120740D+01 -0.234454D+01
      4   0.894589D+01  0.649845D+00 -0.231944D+01  0.181198D+01 -0.107908D+01
      5  -0.406192D+01 -0.130944D+01  0.894145D+00 -0.632526D+01 -0.213130D+01
      6  -0.275854D+01 -0.719112D+00  0.107282D+01  0.825283D+01 -0.329942D+01
                86            87            88            89            90 
      1   0.382385D+02  0.127354D+01  0.529939D+01  0.570680D+01  0.288089D+02
      2  -0.360796D+02 -0.189494D+01 -0.557795D+01 -0.826243D+01 -0.276019D+02
      3  -0.215896D+01  0.621400D+00  0.278560D+00  0.255564D+01 -0.120696D+01
      4  -0.558794D+01 -0.229935D+01 -0.276240D+01 -0.395130D+01 -0.752480D+01
      5  -0.309814D+01 -0.372495D+01 -0.288590D+01 -0.922197D+01 -0.143157D+01
      6  -0.377108D+01 -0.250496D+02 -0.736941D+01 -0.404505D+02 -0.335440D+01
                91            92            93            94            95 
      1   0.475171D+02  0.231065D+02 -0.225796D+01  0.197526D+02  0.138763D+02
      2  -0.188010D+02 -0.595979D+01  0.119747D+01 -0.156274D+01  0.352232D+01
      3  -0.287161D+02 -0.171467D+02  0.106049D+01 -0.181899D+02 -0.173987D+02
      4   0.441820D+02  0.313551D+02 -0.207438D+01  0.368751D+02  0.361703D+02
      5  -0.515192D+01 -0.250902D+01  0.777364D+01 -0.512918D+01 -0.428708D+01
      6  -0.796983D+00 -0.634299D+00  0.323006D+01 -0.218534D+01 -0.188606D+01
                96            97            98            99           100 
      1  -0.186338D+01 -0.743981D+00 -0.661843D+00  0.444141D+00  0.914547D+02
      2   0.934273D+00 -0.588763D+00 -0.755163D+00  0.322236D+00 -0.504045D+02
      3   0.929109D+00  0.133274D+01  0.141701D+01 -0.766377D+00 -0.410502D+02
      4  -0.350350D+01 -0.379905D+01 -0.371839D+01  0.254642D+01 -0.308748D+02
      5   0.556051D+01  0.203379D+01  0.137071D+01 -0.754487D+00  0.115894D+02
      6   0.428589D+01  0.115571D+01  0.186226D+01 -0.934701D+00 -0.419036D+00
               101           102           103           104           105 
      1  -0.204877D+02  0.806291D+01 -0.190462D+02  0.132247D+02 -0.294907D+01
      2   0.100130D+02 -0.540046D+01  0.814109D+01 -0.526119D+01  0.199807D+01
      3   0.104747D+02 -0.266245D+01  0.109051D+02 -0.796355D+01  0.951005D+00
      4   0.157316D+02 -0.275444D+01  0.220751D+02 -0.122793D+02  0.259948D+01
      5  -0.255585D+01  0.111627D+02 -0.497931D+01  0.269232D+01 -0.353024D+01
      6   0.627624D+00 -0.180316D+01  0.145057D+01 -0.632481D+00  0.222068D+01
               106           107           108           109           110 
      1   0.101436D+02 -0.321158D+01  0.286545D+01 -0.405095D+01  0.643484D+01
      2  -0.552728D+01  0.150255D+01 -0.181722D+01  0.539459D+01 -0.591579D+01
      3  -0.461630D+01  0.170903D+01 -0.104823D+01 -0.134364D+01 -0.519045D+00
      4  -0.597241D+01  0.297350D+01 -0.220802D+01  0.944858D+00  0.653108D+01
      5   0.357897D+01 -0.111858D+01  0.215416D+01 -0.357076D+00 -0.674544D+00
      6  -0.782608D+00  0.118867D+01 -0.752420D+00 -0.149873D+01  0.187914D+01
               111           112           113           114           115 
      1  -0.167363D+01  0.369071D+01 -0.360998D+02  0.696871D+01 -0.111915D+01
      2   0.112434D+01 -0.305380D+01  0.501784D+02 -0.698737D+01  0.120318D+01
      3   0.549292D+00 -0.636914D+00 -0.140785D+02  0.186557D-01 -0.840224D-01
      4  -0.814009D+00  0.562921D+01  0.182831D+02 -0.379418D+01 -0.926658D+00
      5   0.115936D+01 -0.860101D+00 -0.445147D+01  0.246783D+01  0.747215D+00
      6  -0.977389D+00  0.224457D+00 -0.131304D+02  0.917333D+01 -0.197518D+00
               116           117           118           119           120 
      1   0.720328D+01 -0.299888D+01  0.135628D+01 -0.319485D+01  0.610478D+00
      2  -0.886395D+01  0.321740D+01  0.328849D+01 -0.248418D+01  0.537125D-01
      3   0.166067D+01 -0.218515D+00 -0.464477D+01  0.567903D+01 -0.664190D+00
      4  -0.302649D+01 -0.253411D+00 -0.106500D+02  0.150505D+02 -0.273829D+01
      5   0.378962D+00 -0.188689D+00  0.188274D+01 -0.248191D+01  0.274406D+01
      6   0.482998D+01 -0.299507D+01 -0.175313D+01  0.181565D+01 -0.177352D+01
               121           122           123           124           125 
      1   0.930526D+00 -0.238595D+02  0.415808D+01  0.188352D+00  0.419582D+01
      2  -0.762065D+01  0.431475D+02 -0.509978D+01  0.931512D+00 -0.697368D+01
      3   0.669012D+01 -0.192880D+02  0.941701D+00 -0.111986D+01  0.277786D+01
      4   0.168143D+02 -0.414013D+02  0.707859D+01 -0.347234D+01  0.844648D+01
      5  -0.265951D+01  0.638117D+01 -0.507483D+01  0.129263D+01 -0.163860D+01
      6   0.270093D+01 -0.107009D+02  0.873889D+01 -0.126141D+01  0.495949D+01
               126           127           128           129           130 
      1  -0.275595D+01  0.352096D+00 -0.118996D+01  0.272687D+01  0.376451D+01
      2   0.321161D+01 -0.274753D+00  0.208579D+00 -0.195587D+01 -0.385350D+01
      3  -0.455659D+00 -0.773432D-01  0.981386D+00 -0.771002D+00  0.889945D-01
      4  -0.195362D+01 -0.377013D+01  0.647074D+01 -0.337249D+01  0.999104D+01
      5   0.131837D+01  0.455011D+01 -0.249232D+01  0.667613D+01 -0.323223D+01
      6  -0.289469D+01 -0.524451D+01  0.860648D+00 -0.173093D+01  0.385455D+01
               131           132           133           134           135 
      1  -0.134635D+02  0.912969D+01 -0.355995D+00  0.104247D+02 -0.150049D+02
      2   0.136301D+02 -0.683971D+01 -0.913085D+00 -0.507155D+01  0.391834D+00
      3  -0.166616D+00 -0.228998D+01  0.126908D+01 -0.535313D+01  0.146131D+02
      4  -0.139784D+02  0.686744D+01 -0.543897D+01  0.863725D+01 -0.965852D+01
      5   0.721570D+01 -0.890370D+01  0.957587D+01 -0.999098D+01  0.152739D+02
      6  -0.156701D+02  0.166480D+02 -0.712740D+01  0.176570D+02 -0.223802D+02
               136           137           138           139           140 
      1  -0.199563D+02  0.290690D+02  0.679274D+01  0.280394D+02  0.671886D+01
      2  -0.720693D+01 -0.172265D+02 -0.832000D+01 -0.147020D+02 -0.864311D+01
      3   0.271632D+02 -0.118425D+02  0.152726D+01 -0.133374D+02  0.192425D+01
      4   0.367658D+02 -0.154768D+02  0.491920D+01 -0.815960D+01 -0.315657D+01
      5   0.384766D+01 -0.736468D-01  0.462694D+01  0.279613D+01  0.273588D+00
      6  -0.304194D+01 -0.102646D+02 -0.614224D+01 -0.961690D+01 -0.587381D+01
               141           142           143           144           145 
      1   0.308299D+01  0.511781D+01  0.330069D+01 -0.259311D+01  0.256147D+01
      2  -0.169232D+02 -0.836198D+01 -0.121646D+02  0.136193D+02 -0.373800D+01
      3   0.138402D+02  0.324417D+01  0.886394D+01 -0.110262D+02  0.117653D+01
      4  -0.773471D+00  0.167151D+02 -0.749315D+01 -0.181431D+02  0.191773D+00
      5  -0.154835D+02  0.103780D+02 -0.180822D+02  0.128838D+01  0.363035D+01
      6   0.646451D+01 -0.134696D+02  0.109887D+02  0.552652D+01  0.128522D+01
               146           147           148           149           150 
      1   0.815109D+00  0.731522D+01  0.616737D+00 -0.615042D+01 -0.570364D+01
      2   0.135740D+00 -0.339144D-01 -0.130279D+01  0.144993D+01 -0.206086D+01
      3  -0.950849D+00 -0.728130D+01  0.686052D+00  0.470049D+01  0.776450D+01
      4  -0.924607D+00  0.659845D+00  0.307615D+01  0.592296D+01  0.654384D+01
      5   0.222242D+00  0.809413D+00  0.320057D+01  0.573309D+01  0.881409D+01
      6  -0.860018D+00 -0.136505D+01  0.123374D+01  0.630822D+01  0.107024D+02
               151           152           153           154           155 
      1   0.453039D+01 -0.414510D+01 -0.168584D+02  0.754673D+02 -0.862626D+01
      2  -0.726079D+01 -0.259358D+01 -0.215140D+02 -0.424361D+02  0.473832D+01
      3   0.273040D+01  0.673869D+01  0.383724D+02 -0.330311D+02  0.388794D+01
      4   0.250993D+01  0.760631D+01  0.827552D+01 -0.853555D+01  0.104223D+02
      5   0.126313D+02  0.762923D+01  0.342841D+02  0.168974D+02 -0.220146D+01
      6   0.221020D+01  0.745278D+01  0.122320D+02 -0.136686D+01  0.133242D+01
               156           157           158           159           160 
      1   0.563477D+01 -0.138260D+02  0.766258D+01 -0.213154D+01 -0.192598D+01
      2  -0.535250D+01  0.777679D+01 -0.285092D+01  0.999974D+00 -0.570663D+00
      3  -0.282269D+00  0.604922D+01 -0.481166D+01  0.113157D+01  0.249664D+01
      4  -0.694843D+00  0.123729D+02 -0.568926D+01  0.436172D+00 -0.434893D+00
      5   0.106888D+02 -0.446705D+01  0.123561D+01 -0.188574D+01  0.105496D+02
      6  -0.499581D+00  0.215520D+01 -0.122595D+01  0.214012D+01 -0.742878D+00
               161           162           163           164           165 
      1  -0.257755D+00  0.557168D+01 -0.497821D+00  0.268161D+01  0.109990D+01
      2  -0.768156D+00 -0.539670D+01  0.171885D+01 -0.245784D+01 -0.141165D+01
      3   0.102591D+01 -0.174975D+00 -0.122103D+01 -0.223768D+00  0.311757D+00
      4  -0.969029D+00 -0.279071D+00  0.283887D+01  0.733224D+01  0.440379D+01
      5  -0.627623D+00  0.311962D+01  0.182586D+01  0.277634D+01  0.474810D+01
      6   0.130217D+01  0.376842D+00  0.629309D+01  0.421125D+00  0.868336D+00
               166           167           168           169           170 
      1  -0.426951D+01 -0.303670D+02 -0.111160D+02 -0.234345D+01 -0.241732D+02
      2   0.601444D+01  0.384820D+02  0.131590D+02  0.298986D+01  0.257430D+02
      3  -0.174493D+01 -0.811500D+01 -0.204301D+01 -0.646407D+00 -0.156974D+01
      4   0.679139D+01  0.100849D+02  0.382031D+01  0.826193D+01  0.776077D+01
      5   0.246536D+01  0.404537D+01  0.314136D+01  0.524297D+01  0.686991D+01
      6   0.334522D+01  0.206528D+02  0.166664D+02  0.629453D+01  0.300416D+02
               171           172           173           174           175 
      1  -0.205420D+02  0.149309D-01  0.360978D+01 -0.286503D+01 -0.400853D+01
      2   0.154399D+02  0.431076D+00 -0.383597D+01  0.189517D+01  0.484580D+01
      3   0.510213D+01 -0.446007D+00  0.226194D+00  0.969865D+00 -0.837267D+00
      4   0.568701D+01  0.802343D+00  0.619543D+01 -0.421378D+01  0.544382D+01
      5   0.582156D+01 -0.111282D+01 -0.241237D+01  0.341811D+01 -0.163800D+01
      6   0.247944D+02 -0.520298D+01  0.197156D+01 -0.132581D+01 -0.203861D+01
               176           177           178           179           180 
      1  -0.264028D+02  0.119962D+02  0.106454D+01  0.195507D+02 -0.202373D+02
      2   0.320697D+02 -0.131325D+02 -0.130217D+01 -0.192441D+02  0.135244D+02
      3  -0.566683D+01  0.113628D+01  0.237632D+00 -0.306613D+00  0.671291D+01
      4   0.736150D+01 -0.285795D+01 -0.597809D+01 -0.513427D+01  0.448024D+01
      5  -0.368973D+01  0.342798D+01  0.391933D+01  0.603232D+01 -0.513766D+01
      6  -0.190633D+02  0.171680D+02  0.480026D+01  0.260905D+02 -0.230360D+02
               181           182           183           184           185 
      1   0.346574D+01 -0.156662D+01 -0.403908D+01  0.115561D+01 -0.774502D+00
      2  -0.338928D+01  0.504465D+00  0.365959D+01 -0.253425D+01 -0.522458D+01
      3  -0.764676D-01  0.106215D+01  0.379490D+00  0.137863D+01  0.599909D+01
      4  -0.250745D+01  0.200786D+01  0.367404D+00 -0.312443D+00  0.741468D+01
      5  -0.454904D+01 -0.149990D+01  0.465529D+01 -0.584368D+01 -0.343491D+01
      6   0.762349D+00  0.108721D+01  0.485231D+00  0.159206D+01 -0.278301D+01
               186           187           188           189           190 
      1   0.202937D+01 -0.394105D+01 -0.775265D+00 -0.783296D+01  0.436375D+02
      2   0.115059D+02  0.619243D+01  0.938951D+01 -0.193458D+02 -0.974982D+01
      3  -0.135353D+02 -0.225138D+01 -0.861425D+01  0.271788D+02 -0.338877D+02
      4  -0.340350D+01  0.971077D+00 -0.538828D+01  0.528717D+01 -0.498542D+02
      5   0.118774D+02  0.847761D+01  0.491054D+01 -0.202221D+02 -0.135943D+02
      6  -0.194482D+01 -0.132777D+01  0.291724D+01  0.743226D+01  0.536138D+01
               191           192           193           194           195 
      1  -0.133866D+02  0.148307D+00 -0.102957D+02  0.294481D+01 -0.920829D+00
      2  -0.398967D+01  0.180876D+01 -0.410909D+01  0.900377D+01  0.121848D+01
      3   0.173763D+02 -0.195706D+01  0.144048D+02 -0.119486D+02 -0.297654D+00
      4   0.306949D+02  0.288110D+01  0.252857D+02 -0.209441D+02 -0.116667D+01
      5   0.633049D+01  0.974768D+01  0.424509D+01 -0.321218D+01 -0.243057D+01
      6  -0.415212D+01 -0.645457D+01 -0.211622D+01  0.379429D+01  0.351704D+01
               196           197           198           199           200 
      1   0.427169D+01 -0.105277D+01  0.382880D+01 -0.674686D+01 -0.168853D+02
      2   0.125316D+01 -0.119879D+01 -0.254585D+01  0.920673D+01  0.185801D+02
      3  -0.552485D+01  0.225156D+01 -0.128295D+01 -0.245987D+01 -0.169480D+01
      4  -0.655030D+01  0.446313D+01 -0.372790D+01  0.336235D+01  0.234178D+01
      5   0.669561D+01 -0.169255D+01  0.437086D+00  0.285893D+01  0.664845D+00
      6  -0.420066D+01  0.246653D+01 -0.132195D+01  0.408152D+01  0.101246D+02
               201           202           203           204           205 
      1  -0.782176D+01 -0.116018D+02 -0.264953D+02 -0.105914D+02 -0.353313D+01
      2   0.551280D+01  0.103463D+02  0.355248D+02  0.103675D+02  0.248428D+01
      3   0.230896D+01  0.125549D+01 -0.902955D+01  0.223905D+00  0.104885D+01
      4  -0.160311D+00  0.725173D+01 -0.629632D+01 -0.220062D+01 -0.317147D+00
      5  -0.938150D+00  0.279267D+01 -0.162339D+01 -0.112274D+01  0.116070D+01
      6   0.843677D+01  0.423652D+01  0.175324D+02  0.113755D+02  0.415672D+01
               206           207 
      1  -0.876038D+01 -0.863709D+01
      2   0.765568D+01  0.420386D+01
      3   0.110470D+01  0.443323D+01
      4  -0.813583D+00  0.122251D+01
      5  -0.954396D-01 -0.163017D+01
      6   0.992241D+01  0.786920D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 18:24:59 2021, MaxMem= 10737418240 cpu:           13016.1 elap:             815.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.26901 -10.34956 -10.34369 -10.30859 -10.30812
 Alpha  occ. eigenvalues --  -10.30797 -10.30258 -10.30185 -10.30137 -10.30086
 Alpha  occ. eigenvalues --  -10.28720  -1.13440  -0.96190  -0.90043  -0.86508
 Alpha  occ. eigenvalues --   -0.83257  -0.79058  -0.74488  -0.71719  -0.69404
 Alpha  occ. eigenvalues --   -0.63759  -0.61099  -0.58295  -0.57478  -0.55469
 Alpha  occ. eigenvalues --   -0.54290  -0.52468  -0.51198  -0.50366  -0.48540
 Alpha  occ. eigenvalues --   -0.46955  -0.46784  -0.44949  -0.44071  -0.43325
 Alpha  occ. eigenvalues --   -0.41072  -0.39561  -0.34494  -0.32764  -0.32100
 Alpha virt. eigenvalues --    0.05075   0.05815   0.08572   0.10182   0.10451
 Alpha virt. eigenvalues --    0.11882   0.13073   0.13138   0.13902   0.14795
 Alpha virt. eigenvalues --    0.15202   0.16302   0.17956   0.18774   0.19538
 Alpha virt. eigenvalues --    0.19877   0.20468   0.20857   0.21274   0.22886
 Alpha virt. eigenvalues --    0.23382   0.23944   0.24051   0.24959   0.25517
 Alpha virt. eigenvalues --    0.26440   0.27165   0.27711   0.27966   0.28989
 Alpha virt. eigenvalues --    0.29260   0.30563   0.31132   0.31698   0.32304
 Alpha virt. eigenvalues --    0.33023   0.33532   0.34255   0.34834   0.35115
 Alpha virt. eigenvalues --    0.35300   0.36252   0.36741   0.37538   0.38497
 Alpha virt. eigenvalues --    0.38859   0.39158   0.39358   0.40102   0.40530
 Alpha virt. eigenvalues --    0.40765   0.41334   0.41697   0.42523   0.43133
 Alpha virt. eigenvalues --    0.43380   0.44101   0.44251   0.44358   0.45370
 Alpha virt. eigenvalues --    0.45620   0.45878   0.46251   0.46858   0.47456
 Alpha virt. eigenvalues --    0.47917   0.48414   0.48671   0.48934   0.49348
 Alpha virt. eigenvalues --    0.50052   0.50578   0.50930   0.51423   0.51952
 Alpha virt. eigenvalues --    0.52270   0.52844   0.53519   0.54044   0.54791
 Alpha virt. eigenvalues --    0.55344   0.55532   0.56703   0.57135   0.57952
 Alpha virt. eigenvalues --    0.58261   0.58957   0.59474   0.60174   0.60672
 Alpha virt. eigenvalues --    0.61595   0.62357   0.62787   0.63199   0.63915
 Alpha virt. eigenvalues --    0.64377   0.64991   0.65886   0.66736   0.67209
 Alpha virt. eigenvalues --    0.67819   0.68847   0.69095   0.70136   0.70627
 Alpha virt. eigenvalues --    0.70992   0.72251   0.73036   0.73201   0.74558
 Alpha virt. eigenvalues --    0.75611   0.76227   0.76852   0.77395   0.79586
 Alpha virt. eigenvalues --    0.81082   0.81839   0.81882   0.83469   0.84145
 Alpha virt. eigenvalues --    0.84989   0.86779   0.88010   0.88705   0.89908
 Alpha virt. eigenvalues --    0.90674   0.92261   0.93051   0.94210   0.95359
 Alpha virt. eigenvalues --    0.96847   0.98449   0.99918   1.01579   1.03455
 Alpha virt. eigenvalues --    1.03740   1.05259   1.05412   1.05968   1.06863
 Alpha virt. eigenvalues --    1.07026   1.08312   1.08857   1.09884   1.10848
 Alpha virt. eigenvalues --    1.11634   1.12698   1.14143   1.14940   1.16698
 Alpha virt. eigenvalues --    1.18845   1.19514   1.20315   1.21518   1.22158
 Alpha virt. eigenvalues --    1.23430   1.24571   1.25362   1.27087   1.27867
 Alpha virt. eigenvalues --    1.28493   1.31451   1.32562   1.33028   1.34013
 Alpha virt. eigenvalues --    1.36223   1.36945   1.39524   1.39995   1.41704
 Alpha virt. eigenvalues --    1.44250   1.45715   1.45954   1.47682   1.49508
 Alpha virt. eigenvalues --    1.50668   1.53322   1.55030   1.57060   1.59941
 Alpha virt. eigenvalues --    1.60797   1.61295   1.62591   1.66315   1.69093
 Alpha virt. eigenvalues --    1.71130   1.72551   1.73640   1.74969   1.76079
 Alpha virt. eigenvalues --    1.77689   1.79863   1.81260   1.83991   1.85222
 Alpha virt. eigenvalues --    1.85806   1.89494   1.90329   1.92591   1.93491
 Alpha virt. eigenvalues --    1.93802   1.96065   1.96217   1.97728   1.98784
 Alpha virt. eigenvalues --    2.01454   2.02502   2.04248   2.05766   2.06283
 Alpha virt. eigenvalues --    2.08970   2.10428   2.10773   2.11708   2.12844
 Alpha virt. eigenvalues --    2.14444   2.15926   2.17933   2.18833   2.19631
 Alpha virt. eigenvalues --    2.21213   2.22249   2.22913   2.26270   2.27034
 Alpha virt. eigenvalues --    2.27999   2.28806   2.31361   2.32632   2.35965
 Alpha virt. eigenvalues --    2.37399   2.39473   2.40752   2.44498   2.46008
 Alpha virt. eigenvalues --    2.46903   2.48051   2.48756   2.50508   2.54011
 Alpha virt. eigenvalues --    2.55971   2.57836   2.59075   2.59767   2.60790
 Alpha virt. eigenvalues --    2.63282   2.63604   2.64989   2.69257   2.73073
 Alpha virt. eigenvalues --    2.76251   2.77284   2.77802   2.80490   2.81823
 Alpha virt. eigenvalues --    2.90495   2.95743   2.96320   2.97767   2.98896
 Alpha virt. eigenvalues --    3.02752   3.06193   3.10652   3.12731   3.14839
 Alpha virt. eigenvalues --    3.16880   3.18094   3.20711   3.21529   3.23448
 Alpha virt. eigenvalues --    3.26084   3.27370   3.29926   3.31916   3.32799
 Alpha virt. eigenvalues --    3.45301   3.60518   3.76243   3.81011
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.429300  -0.014725  -0.545093   0.358511  -0.093991   0.600878
     2  C   -0.014725   6.278463   0.576733  -0.141577   0.377542  -0.331007
     3  C   -0.545093   0.576733   7.828574  -0.203364  -0.131609  -0.417857
     4  C    0.358511  -0.141577  -0.203364   9.349741  -1.490865   0.069681
     5  C   -0.093991   0.377542  -0.131609  -1.490865  10.024144  -0.738171
     6  C    0.600878  -0.331007  -0.417857   0.069681  -0.738171   8.107762
     7  C    0.058437   0.032381  -0.453055  -0.101809  -0.645791   0.038311
     8  C   -0.000666  -0.003797   0.095030   0.002478  -0.085556   0.015208
     9  O    0.001801  -0.009898  -0.036303  -0.091378  -0.058037   0.073781
    10  C    0.037087   0.049026   0.010163  -0.652364   0.064643  -0.520631
    11  H    0.064073  -0.278668  -0.239584   0.003444   0.083754  -0.037937
    12  H   -0.257926   0.066187  -0.025090   0.082580   0.000604  -0.238849
    13  H   -0.427565  -0.062179  -0.040486  -0.735949   0.186652   0.125543
    14  H   -0.076091  -0.425618   0.130109   0.193261  -0.470555  -0.160716
    15  H    0.018816  -0.001499  -0.148860  -0.129241   0.033601  -0.000641
    16  C    0.001152   0.000745   0.015066   0.072382   0.044778   0.001974
    17  H    0.000169   0.000367  -0.014730   0.052026  -0.120815   0.007793
    18  H   -0.000213   0.000404  -0.001961   0.019662   0.033713  -0.000207
    19  H   -0.003515   0.000589  -0.001437   0.068601   0.097872  -0.013711
    20  H   -0.006345  -0.006112   0.006485   0.143966  -0.017991   0.035322
    21  H   -0.000366   0.000785  -0.001133  -0.046853   0.028261  -0.003405
    22  H   -0.000196  -0.000089   0.003858   0.008155  -0.000057  -0.000260
    23  H    0.003166   0.000729   0.000657  -0.104718  -0.009026  -0.002416
               7          8          9         10         11         12
     1  C    0.058437  -0.000666   0.001801   0.037087   0.064073  -0.257926
     2  C    0.032381  -0.003797  -0.009898   0.049026  -0.278668   0.066187
     3  C   -0.453055   0.095030  -0.036303   0.010163  -0.239584  -0.025090
     4  C   -0.101809   0.002478  -0.091378  -0.652364   0.003444   0.082580
     5  C   -0.645791  -0.085556  -0.058037   0.064643   0.083754   0.000604
     6  C    0.038311   0.015208   0.073781  -0.520631  -0.037937  -0.238849
     7  C    7.182878  -0.074955   0.158993  -0.205033   0.005330  -0.001732
     8  C   -0.074955   4.573663  -0.109728   0.119172  -0.000155   0.000009
     9  O    0.158993  -0.109728   9.238669  -0.052175   0.000813  -0.000585
    10  C   -0.205033   0.119172  -0.052175   5.642243  -0.003256   0.010329
    11  H    0.005330  -0.000155   0.000813  -0.003256   1.932350  -0.413822
    12  H   -0.001732   0.000009  -0.000585   0.010329  -0.413822   1.868133
    13  H   -0.153951   0.015799  -0.011167   0.003387  -0.446172   0.050741
    14  H   -0.004701  -0.002175   0.008800  -0.123868   0.049844  -0.427046
    15  H    0.160089  -0.082080   0.000992  -0.021362  -0.001005  -0.000054
    16  C    0.134900   0.000077  -0.046522  -0.003947   0.000058  -0.000350
    17  H    0.091242   0.234485   0.037585  -0.000464   0.000129  -0.000093
    18  H    0.111961   0.150452  -0.028927  -0.004760   0.000005  -0.000004
    19  H    0.040090  -0.003601  -0.050992   0.103672   0.000153  -0.000629
    20  H   -0.014539   0.011347  -0.058548  -0.048632   0.000212  -0.001991
    21  H    0.147764  -0.023181   0.007054   0.015067   0.000209   0.000002
    22  H    0.027497   0.002862  -0.016531  -0.001554   0.000004   0.000001
    23  H    0.147212   0.028487   0.001035  -0.004727   0.000034  -0.000079
              13         14         15         16         17         18
     1  C   -0.427565  -0.076091   0.018816   0.001152   0.000169  -0.000213
     2  C   -0.062179  -0.425618  -0.001499   0.000745   0.000367   0.000404
     3  C   -0.040486   0.130109  -0.148860   0.015066  -0.014730  -0.001961
     4  C   -0.735949   0.193261  -0.129241   0.072382   0.052026   0.019662
     5  C    0.186652  -0.470555   0.033601   0.044778  -0.120815   0.033713
     6  C    0.125543  -0.160716  -0.000641   0.001974   0.007793  -0.000207
     7  C   -0.153951  -0.004701   0.160089   0.134900   0.091242   0.111961
     8  C    0.015799  -0.002175  -0.082080   0.000077   0.234485   0.150452
     9  O   -0.011167   0.008800   0.000992  -0.046522   0.037585  -0.028927
    10  C    0.003387  -0.123868  -0.021362  -0.003947  -0.000464  -0.004760
    11  H   -0.446172   0.049844  -0.001005   0.000058   0.000129   0.000005
    12  H    0.050741  -0.427046  -0.000054  -0.000350  -0.000093  -0.000004
    13  H    2.128879  -0.016408  -0.017053   0.008691  -0.002444  -0.001060
    14  H   -0.016408   1.960351   0.000541   0.001323   0.001513   0.000223
    15  H   -0.017053   0.000541   1.243912  -0.054494  -0.102385   0.123308
    16  C    0.008691   0.001323  -0.054494   4.294886   0.033296  -0.085048
    17  H   -0.002444   0.001513  -0.102385   0.033296   0.980636  -0.309053
    18  H   -0.001060   0.000223   0.123308  -0.085048  -0.309053   1.338370
    19  H   -0.000427   0.010441  -0.001113   0.002020   0.002596  -0.001292
    20  H   -0.000603   0.043718   0.001297   0.002616   0.000695   0.004459
    21  H    0.000698  -0.000411  -0.010199   0.278124   0.000441  -0.028242
    22  H    0.002496   0.000001  -0.017781   0.266701   0.009098  -0.005846
    23  H    0.000246   0.000237   0.041474   0.220731  -0.004663   0.011238
              19         20         21         22         23
     1  C   -0.003515  -0.006345  -0.000366  -0.000196   0.003166
     2  C    0.000589  -0.006112   0.000785  -0.000089   0.000729
     3  C   -0.001437   0.006485  -0.001133   0.003858   0.000657
     4  C    0.068601   0.143966  -0.046853   0.008155  -0.104718
     5  C    0.097872  -0.017991   0.028261  -0.000057  -0.009026
     6  C   -0.013711   0.035322  -0.003405  -0.000260  -0.002416
     7  C    0.040090  -0.014539   0.147764   0.027497   0.147212
     8  C   -0.003601   0.011347  -0.023181   0.002862   0.028487
     9  O   -0.050992  -0.058548   0.007054  -0.016531   0.001035
    10  C    0.103672  -0.048632   0.015067  -0.001554  -0.004727
    11  H    0.000153   0.000212   0.000209   0.000004   0.000034
    12  H   -0.000629  -0.001991   0.000002   0.000001  -0.000079
    13  H   -0.000427  -0.000603   0.000698   0.002496   0.000246
    14  H    0.010441   0.043718  -0.000411   0.000001   0.000237
    15  H   -0.001113   0.001297  -0.010199  -0.017781   0.041474
    16  C    0.002020   0.002616   0.278124   0.266701   0.220731
    17  H    0.002596   0.000695   0.000441   0.009098  -0.004663
    18  H   -0.001292   0.004459  -0.028242  -0.005846   0.011238
    19  H    0.705929  -0.032209   0.000899  -0.000110  -0.000249
    20  H   -0.032209   0.895103  -0.003544   0.000140   0.000466
    21  H    0.000899  -0.003544   0.662013  -0.017117  -0.038204
    22  H   -0.000110   0.000140  -0.017117   0.620761  -0.047953
    23  H   -0.000249   0.000466  -0.038204  -0.047953   0.867122
 Mulliken charges:
               1
     1  C   -0.146697
     2  C   -0.108785
     3  C   -0.406114
     4  C   -0.726370
     5  C   -1.113098
     6  C   -0.610447
     7  C   -0.681517
     8  C    1.136827
     9  O   -0.958733
    10  C    1.587983
    11  H    0.280187
    12  H    0.289664
    13  H    0.392332
    14  H    0.307227
    15  H   -0.036264
    16  C    0.810843
    17  H    0.102575
    18  H   -0.327183
    19  H    0.076422
    20  H    0.044686
    21  H    0.031340
    22  H    0.165920
    23  H   -0.110798
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.133489
     2  C    0.180879
     3  C   -0.013782
     4  C   -0.726370
     5  C   -1.113098
     6  C   -0.303220
     7  C   -0.717781
     8  C    0.912219
     9  O   -0.958733
    10  C    1.709091
    16  C    0.897306
 Electronic spatial extent (au):  <R**2>=           1639.0729
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6252    Y=              0.5246    Z=             -0.8433  Tot=              1.1736
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.9759   YY=            -61.7446   ZZ=            -68.2395
   XY=             -3.3279   XZ=              2.9071   YZ=             -0.9023
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.0108   YY=              3.2420   ZZ=             -3.2528
   XY=             -3.3279   XZ=              2.9071   YZ=             -0.9023
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              7.0570  YYY=             -7.0229  ZZZ=              0.4749  XYY=              5.4389
  XXY=              8.9377  XXZ=             -3.8038  XZZ=            -10.3200  YZZ=             -3.4859
  YYZ=             -0.1420  XYZ=             -3.3216
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1274.4789 YYYY=           -678.1589 ZZZZ=           -180.6603 XXXY=            -15.9324
 XXXZ=             18.7398 YYYX=              7.3656 YYYZ=            -12.5261 ZZZX=              1.1188
 ZZZY=             -2.2406 XXYY=           -342.6779 XXZZ=           -271.5047 YYZZ=           -147.6374
 XXYZ=             -2.9580 YYXZ=              3.1746 ZZXY=              3.5365
 N-N= 6.087431425871D+02 E-N=-2.290891062924D+03  KE= 4.577738861380D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 18:25:00 2021, MaxMem= 10737418240 cpu:               2.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.26347213D-01 1.89666481D-01-3.08094183D-01
 Polarizability= 1.39945018D+02-2.82458637D+00 1.23418169D+02
                 2.87767968D+00-3.88014091D+00 8.04670895D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.3416   -1.3408       -1.1234   -1.1230
 2      1.3416    1.3408        1.9747    1.9762       -9.0852   -9.0724
 3      1.1234    1.1230       30.7014   30.6882       -1.9741   -1.9762
 4     -1.9747   -1.9762       -0.0000    0.0000        1.1239    1.1230
 5    -21.6163  -21.6159       -1.1239   -1.1230       -1.3404   -1.3408
 6      1.9741    1.9762        1.3404    1.3408        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.0225    4.0225       -3.3690   -3.3690
 2     -5.9286   -5.9286       -0.0000    0.0000       -3.3690   -3.3690
 3     -5.9286   -5.9286        4.0225    4.0225        0.0000    0.0000
 4      4.0225    4.0225        5.9286    5.9286      -27.2171  -27.2171
 5      3.3690    3.3690       92.0647   92.0647       -5.9286   -5.9286
 6    -64.8476  -64.8476       -3.3690   -3.3690       -4.0225   -4.0225
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1962    0.0000        5.0999    5.3633        4.2639    4.4920
 2     -5.3481   -5.3633       -7.3953   -7.9048       36.2216   36.2895
 3     -4.3056   -4.4920     -122.8601 -122.7530        7.7302    7.9048
 4      7.7639    7.9048        0.0387    0.0000       -4.7713   -4.4920
 5     86.4515   86.4635        4.5737    4.4920        5.4889    5.3633
 6     -7.9583   -7.9048       -5.3174   -5.3633       -0.0564    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0054    0.0000       -6.0583   -5.9632       -1.9244   -1.9918
 2      5.4974    5.9632      -54.1800  -54.1479       28.3048   28.4212
 3      2.1159    1.9918       13.5803   14.2610       54.7257   54.1479
 4     54.5273   54.1479        0.1306    0.0000        2.0092    1.9918
 5    -42.1094  -42.6822       -2.3844   -1.9918       -5.8233   -5.9632
 6    -54.5265  -54.1479        6.0263    5.9632        0.0854    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -2.2453   -2.4629      -34.0185  -34.2989       -5.6304   -5.6135
 2     85.3846   84.7714      -33.5311  -33.6566       -5.6604   -5.6135
 3     85.3135   84.7714      -34.1326  -34.2989       -6.6420   -6.6204
 4     -0.7037   -0.6423      -87.0685  -87.2343       26.2673   26.3991
 5     -0.7289   -1.0070       32.5820   34.0855       87.7637   87.2343
 6    -59.9573  -60.4846        0.6696    1.0070        0.5220    0.6423
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5276   -2.6609   -0.0007   -0.0004    0.0002    5.4422
 Low frequencies ---   92.0069  119.2389  201.5494
 Diagonal vibrational polarizability:
        4.1634484       3.8790134       8.3476660
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     92.0053               119.2385               201.5491
 Red. masses --      3.0238                 3.0444                 2.8692
 Frc consts  --      0.0151                 0.0255                 0.0687
 IR Inten    --      0.5753                 0.2323                 1.2462
 RamAct Fr= 1--      2.9687                 3.0500                 1.9306
  Dep-P Fr= 1--      0.7490                 0.7435                 0.6632
  Dep-U Fr= 1--      0.8565                 0.8529                 0.7975
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0030
 Beta2  Fr= 1--      0.4238                 0.4335                 0.2566
 AlphaG Fr= 1--     -0.0001                -0.0004                 0.0062
 Gamma2 Fr= 1--      0.3588                 0.9109                 0.4043
 Delta2 Fr= 1--      0.5223                 0.4543                -0.0337
 Raman1 Fr= 1--      11.875                 12.200                  7.722
 ROA1   Fr= 1--      51.158                101.978                 37.736
 CID1   Fr= 1--       4.308                  8.359                  4.887
 Raman2 Fr= 1--       5.085                  5.203                  3.079
 ROA2   Fr= 1--       4.432                 18.226                  9.974
 CID2   Fr= 1--       0.872                  3.503                  3.239
 Raman3 Fr= 1--      10.170                 10.405                  6.159
 ROA3   Fr= 1--      51.158                101.978                 37.736
 CID3   Fr= 1--       5.030                  9.801                  6.127
 RC180  Fr= 1--       0.713                  0.706                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.13    -0.02   0.02  -0.02    -0.02   0.04   0.16
     2   6    -0.00   0.01   0.03    -0.03   0.05   0.18    -0.02   0.02   0.03
     3   6    -0.03   0.00   0.10    -0.01  -0.02  -0.17    -0.01   0.02   0.01
     4   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.13     0.00  -0.01  -0.14
     5   6     0.01  -0.04  -0.10    -0.01   0.00  -0.03    -0.01  -0.01  -0.13
     6   6     0.02  -0.02  -0.09    -0.02   0.04   0.15    -0.01  -0.01  -0.14
     7   6    -0.01  -0.03  -0.04    -0.01  -0.01  -0.01     0.00  -0.02  -0.09
     8   6    -0.08  -0.04   0.14    -0.08   0.03   0.06     0.01  -0.02  -0.05
     9   8     0.06  -0.03   0.12    -0.00  -0.02  -0.01    -0.02   0.09   0.08
    10   6     0.02  -0.05  -0.13    -0.01  -0.01  -0.14    -0.04   0.03   0.14
    11   1    -0.04   0.05   0.24    -0.02   0.02  -0.04    -0.03   0.07   0.35
    12   1     0.00   0.02   0.04    -0.04   0.09   0.35    -0.03   0.03   0.10
    13   1    -0.04   0.01   0.18    -0.01  -0.04  -0.27    -0.01   0.03   0.08
    14   1     0.03  -0.03  -0.15    -0.02   0.07   0.28    -0.01  -0.02  -0.19
    15   1    -0.02  -0.15  -0.14    -0.10   0.03   0.03    -0.06   0.03  -0.05
    16   6     0.05   0.18  -0.14     0.17  -0.06   0.10     0.11  -0.13   0.02
    17   1    -0.24  -0.06   0.11    -0.21   0.06   0.02     0.05  -0.12  -0.00
    18   1    -0.06  -0.02   0.29    -0.06   0.05   0.19     0.01  -0.01  -0.12
    19   1    -0.11   0.10  -0.24    -0.03   0.13  -0.24    -0.11  -0.21   0.31
    20   1     0.11  -0.19  -0.25     0.02  -0.14  -0.24     0.00   0.26   0.31
    21   1     0.04   0.31  -0.04     0.31  -0.10   0.07     0.37  -0.17  -0.01
    22   1     0.06   0.20  -0.18     0.15  -0.06   0.28     0.02  -0.27   0.22
    23   1     0.09   0.19  -0.28     0.21  -0.07   0.03     0.04  -0.04  -0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    232.2499               253.9007               322.9162
 Red. masses --      1.1063                 2.8506                 3.1614
 Frc consts  --      0.0352                 0.1083                 0.1942
 IR Inten    --      0.4417                 2.7111                 5.0029
 RamAct Fr= 1--      0.1390                 0.4725                 0.8226
  Dep-P Fr= 1--      0.7124                 0.7418                 0.1703
  Dep-U Fr= 1--      0.8321                 0.8518                 0.2911
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0121
 Beta2  Fr= 1--      0.0193                 0.0671                 0.0399
 AlphaG Fr= 1--     -0.0010                -0.0001                -0.0024
 Gamma2 Fr= 1--     -0.1413                 0.4007                -0.3316
 Delta2 Fr= 1--      0.0491                 0.1183                -0.1383
 Raman1 Fr= 1--       0.556                  1.890                  3.291
 ROA1   Fr= 1--     -11.993                 42.249                -36.262
 CID1   Fr= 1--     -21.565                 22.355                -11.020
 Raman2 Fr= 1--       0.231                  0.805                  0.479
 ROA2   Fr= 1--      -3.784                  8.669                 -6.852
 CID2   Fr= 1--     -16.353                 10.770                -14.308
 Raman3 Fr= 1--       0.463                  1.610                  0.958
 ROA3   Fr= 1--     -11.993                 42.249                -36.262
 CID3   Fr= 1--     -25.916                 26.244                -37.860
 RC180  Fr= 1--       0.664                  0.704                 -0.418
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.01    -0.06   0.06   0.01    -0.06   0.06  -0.06
     2   6    -0.00  -0.01  -0.02    -0.02   0.06  -0.04    -0.01   0.05  -0.13
     3   6     0.00   0.00   0.02    -0.07   0.00   0.04    -0.09   0.01   0.15
     4   6    -0.00   0.01   0.03    -0.02  -0.05   0.03    -0.01  -0.07   0.07
     5   6    -0.01   0.01   0.03    -0.01  -0.04   0.05    -0.00  -0.06   0.12
     6   6    -0.01   0.00   0.01     0.02   0.01  -0.01     0.03   0.01   0.11
     7   6    -0.01   0.00   0.02     0.01  -0.02   0.03     0.05  -0.05  -0.09
     8   6     0.01  -0.00  -0.01    -0.02   0.01  -0.03     0.03  -0.00  -0.08
     9   8    -0.01  -0.03  -0.04    -0.07  -0.12  -0.17    -0.01   0.14   0.08
    10   6     0.00  -0.01  -0.00    -0.00  -0.06   0.10    -0.08  -0.00  -0.07
    11   1     0.01  -0.02  -0.03    -0.08   0.09   0.01    -0.09   0.08  -0.16
    12   1    -0.00  -0.02  -0.04    -0.00   0.08  -0.10     0.02   0.08  -0.30
    13   1     0.01   0.01   0.02    -0.14  -0.01   0.06    -0.18   0.01   0.22
    14   1    -0.02  -0.00   0.01     0.08   0.02  -0.04     0.11   0.04   0.15
    15   1    -0.02  -0.01   0.01     0.05  -0.05   0.00     0.14  -0.03  -0.07
    16   6     0.02   0.04   0.00     0.21   0.13   0.01     0.13  -0.10  -0.05
    17   1     0.04   0.03  -0.01    -0.03   0.14  -0.08     0.10  -0.15  -0.01
    18   1     0.01  -0.01  -0.03    -0.01   0.01   0.01     0.03   0.03  -0.20
    19   1     0.04  -0.00  -0.01     0.15  -0.25   0.25    -0.19   0.25  -0.25
    20   1    -0.01  -0.01  -0.00    -0.08   0.13   0.26    -0.14  -0.25  -0.25
    21   1     0.55   0.21   0.16     0.05   0.17   0.04     0.23  -0.15  -0.08
    22   1    -0.21  -0.42   0.19     0.32   0.41   0.04     0.11  -0.10   0.08
    23   1    -0.27   0.39  -0.36     0.45  -0.06  -0.04     0.16  -0.12  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    357.2463               385.6409               440.8882
 Red. masses --      3.5440                 2.3758                 3.3059
 Frc consts  --      0.2665                 0.2082                 0.3786
 IR Inten    --      0.2966                 0.4124                 3.9621
 RamAct Fr= 1--      0.2878                 2.4905                 1.2659
  Dep-P Fr= 1--      0.7122                 0.3433                 0.6199
  Dep-U Fr= 1--      0.8319                 0.5112                 0.7654
 Alpha2 Fr= 1--      0.0002                 0.0223                 0.0030
 Beta2  Fr= 1--      0.0399                 0.2122                 0.1615
 AlphaG Fr= 1--     -0.0003                -0.0094                 0.0051
 Gamma2 Fr= 1--     -0.7005                 0.0414                 0.4653
 Delta2 Fr= 1--     -0.2063                 0.1441                 0.1047
 Raman1 Fr= 1--       1.151                  9.962                  5.064
 ROA1   Fr= 1--     -73.845                  8.581                 48.019
 CID1   Fr= 1--     -64.136                  0.861                  9.483
 Raman2 Fr= 1--       0.479                  2.546                  1.938
 ROA2   Fr= 1--     -15.161                 -0.160                 10.330
 CID2   Fr= 1--     -31.657                 -0.063                  5.331
 Raman3 Fr= 1--       0.958                  5.092                  3.876
 ROA3   Fr= 1--     -73.845                  8.581                 48.019
 CID3   Fr= 1--     -77.096                  1.685                 12.390
 RC180  Fr= 1--       0.664                  0.022                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05   0.02    -0.04  -0.04  -0.02    -0.08  -0.08  -0.09
     2   6     0.00  -0.09  -0.11    -0.10  -0.04   0.01    -0.01  -0.05  -0.02
     3   6     0.10   0.10   0.13    -0.02   0.04  -0.00    -0.09  -0.02   0.15
     4   6     0.03   0.14  -0.06    -0.04   0.07  -0.01    -0.07  -0.04  -0.09
     5   6    -0.03   0.16   0.05    -0.07   0.06  -0.04     0.03  -0.04  -0.17
     6   6    -0.09   0.06   0.09    -0.12   0.00   0.00    -0.01  -0.02   0.15
     7   6    -0.04  -0.03  -0.11    -0.04   0.03   0.03    -0.06   0.07  -0.03
     8   6    -0.11  -0.08   0.05     0.17  -0.12  -0.05    -0.02   0.07  -0.01
     9   8    -0.05  -0.12  -0.02     0.07  -0.03   0.07     0.18   0.08  -0.05
    10   6     0.04   0.09   0.01     0.04  -0.02  -0.04     0.12  -0.03   0.03
    11   1     0.15  -0.12   0.02    -0.00  -0.09  -0.02    -0.09  -0.07  -0.15
    12   1    -0.02  -0.20  -0.26    -0.11  -0.07   0.04     0.00   0.00   0.01
    13   1     0.22   0.15   0.26     0.03   0.06   0.01    -0.08   0.03   0.41
    14   1    -0.21   0.05   0.15    -0.19  -0.00   0.02    -0.06   0.03   0.43
    15   1    -0.18  -0.08  -0.14    -0.11   0.01   0.02    -0.04   0.11   0.00
    16   6     0.07  -0.09  -0.06     0.06   0.07   0.05    -0.03   0.02   0.02
    17   1    -0.33  -0.08   0.01     0.56  -0.18   0.05    -0.16   0.14  -0.06
    18   1    -0.08  -0.01   0.24     0.11  -0.27  -0.43    -0.04  -0.03   0.19
    19   1     0.16   0.11  -0.00     0.00   0.06  -0.09     0.08  -0.32   0.23
    20   1     0.12   0.08  -0.01     0.15  -0.08  -0.10     0.12   0.24   0.23
    21   1     0.06  -0.19  -0.13     0.01   0.09   0.06     0.02  -0.02  -0.01
    22   1     0.09   0.01   0.05     0.12   0.23   0.11    -0.05  -0.00   0.07
    23   1     0.16  -0.19   0.01     0.21  -0.03   0.01    -0.05   0.03   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    471.3334               524.9805               554.0479
 Red. masses --      4.0221                 3.5738                 3.5664
 Frc consts  --      0.5265                 0.5803                 0.6450
 IR Inten    --      3.1414                 0.2801                 3.3016
 RamAct Fr= 1--      2.3281                 8.2949                 0.3456
  Dep-P Fr= 1--      0.3378                 0.2022                 0.4015
  Dep-U Fr= 1--      0.5050                 0.3363                 0.5730
 Alpha2 Fr= 1--      0.0213                 0.1120                 0.0025
 Beta2  Fr= 1--      0.1960                 0.4650                 0.0330
 AlphaG Fr= 1--      0.0167                 0.0192                -0.0085
 Gamma2 Fr= 1--     -0.1469                -0.2406                 0.1968
 Delta2 Fr= 1--      0.1057                -0.0332                -0.0633
 Raman1 Fr= 1--       9.312                 33.179                  1.382
 ROA1   Fr= 1--     -10.716                -24.160                 16.863
 CID1   Fr= 1--      -1.151                 -0.728                 12.199
 Raman2 Fr= 1--       2.352                  5.580                  0.396
 ROA2   Fr= 1--      -4.370                 -5.509                  5.229
 CID2   Fr= 1--      -1.858                 -0.987                 13.203
 Raman3 Fr= 1--       4.703                 11.159                  0.792
 ROA3   Fr= 1--     -10.716                -24.160                 16.863
 CID3   Fr= 1--      -2.279                 -2.165                 21.291
 RC180  Fr= 1--       0.010                 -0.327                  0.146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.07   0.14    -0.07   0.04  -0.04     0.01  -0.06  -0.19
     2   6    -0.02  -0.08  -0.03    -0.22   0.03   0.02     0.01   0.01   0.23
     3   6    -0.09  -0.06  -0.12    -0.02   0.10  -0.02    -0.01   0.02   0.10
     4   6    -0.09   0.01   0.05     0.07   0.02   0.07    -0.03   0.06   0.24
     5   6     0.03   0.07   0.25    -0.08  -0.01   0.00     0.03   0.04  -0.06
     6   6    -0.00  -0.08  -0.07    -0.14  -0.04  -0.03     0.02  -0.02  -0.14
     7   6    -0.07   0.04  -0.08     0.22   0.02  -0.02    -0.05  -0.06  -0.03
     8   6    -0.05   0.03  -0.03     0.12   0.09   0.12    -0.09  -0.05  -0.05
     9   8     0.19   0.07  -0.05     0.07  -0.05  -0.01     0.00   0.04   0.00
    10   6     0.15   0.07   0.02     0.02  -0.07   0.01     0.02   0.08  -0.01
    11   1    -0.14  -0.04   0.21     0.02  -0.07  -0.09     0.02  -0.12  -0.52
    12   1     0.01  -0.05  -0.20    -0.22   0.02   0.04     0.00   0.05   0.39
    13   1    -0.02  -0.09  -0.37    -0.10   0.07  -0.09     0.04   0.00  -0.07
    14   1    -0.06  -0.14  -0.37    -0.11  -0.04  -0.10    -0.01  -0.06  -0.32
    15   1    -0.00   0.07  -0.06     0.25  -0.03  -0.07     0.07  -0.08  -0.05
    16   6     0.03  -0.02  -0.01     0.03  -0.09  -0.10     0.06  -0.05  -0.05
    17   1    -0.20   0.07  -0.08    -0.18   0.14   0.05    -0.16  -0.09  -0.05
    18   1    -0.07  -0.07   0.17     0.19   0.26   0.40    -0.08  -0.03   0.00
    19   1     0.30   0.21  -0.08     0.07  -0.14   0.06     0.00  -0.03   0.07
    20   1     0.02  -0.07  -0.07     0.05  -0.01   0.06     0.05   0.18   0.06
    21   1     0.12  -0.10  -0.06    -0.01  -0.20  -0.18     0.15  -0.05  -0.04
    22   1     0.02   0.02   0.16    -0.02  -0.28  -0.24     0.07   0.05   0.12
    23   1     0.09  -0.07  -0.01    -0.17   0.00   0.11     0.18  -0.12  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    621.8870               706.4100               735.3029
 Red. masses --      4.5836                 3.5550                 4.2478
 Frc consts  --      1.0444                 1.0452                 1.3531
 IR Inten    --      4.3133                 9.6296                 2.2974
 RamAct Fr= 1--      2.4564                 0.8246                22.6148
  Dep-P Fr= 1--      0.3216                 0.6225                 0.0439
  Dep-U Fr= 1--      0.4866                 0.7673                 0.0841
 Alpha2 Fr= 1--      0.0236                 0.0019                 0.4533
 Beta2  Fr= 1--      0.1992                 0.1055                 0.3168
 AlphaG Fr= 1--      0.0304                -0.0051                -0.0065
 Gamma2 Fr= 1--      0.1307                -0.3628                -1.5793
 Delta2 Fr= 1--      0.1338                -0.2344                -0.6547
 Raman1 Fr= 1--       9.826                  3.298                 90.459
 ROA1   Fr= 1--      16.825                -42.329               -172.559
 CID1   Fr= 1--       1.712                -12.833                 -1.908
 Raman2 Fr= 1--       2.391                  1.265                  3.802
 ROA2   Fr= 1--       2.065                 -6.832                -32.664
 CID2   Fr= 1--       0.864                 -5.399                 -8.592
 Raman3 Fr= 1--       4.782                  2.531                  7.603
 ROA3   Fr= 1--      16.825                -42.329               -172.559
 CID3   Fr= 1--       3.519                -16.724                -22.695
 RC180  Fr= 1--      -0.027                  0.535                 -0.832
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.18  -0.04   0.00    -0.12  -0.10  -0.08     0.03   0.05  -0.05
     2   6    -0.08  -0.07  -0.03     0.12  -0.02   0.08    -0.10   0.02   0.05
     3   6    -0.08   0.17  -0.05    -0.10  -0.04   0.06     0.07   0.26   0.01
     4   6     0.10   0.00  -0.06    -0.06   0.02  -0.10     0.11   0.05  -0.08
     5   6     0.17   0.04  -0.06     0.05   0.05   0.05     0.07  -0.11   0.11
     6   6     0.08  -0.22   0.06     0.11  -0.03  -0.07     0.08  -0.24   0.01
     7   6     0.06  -0.19   0.14     0.03   0.18  -0.09    -0.09   0.12  -0.11
     8   6    -0.01  -0.03  -0.00     0.10   0.07   0.11    -0.08  -0.03  -0.06
     9   8    -0.08   0.01  -0.02    -0.14  -0.13   0.03     0.02  -0.00   0.01
    10   6     0.05   0.25  -0.01     0.02   0.03   0.03    -0.05  -0.17   0.03
    11   1    -0.10  -0.12   0.15    -0.22   0.02   0.00     0.22  -0.17  -0.09
    12   1    -0.01   0.18   0.04     0.17   0.15   0.19    -0.04   0.14  -0.08
    13   1    -0.08   0.19   0.10    -0.04   0.01   0.26     0.07   0.26   0.03
    14   1     0.02  -0.19   0.22     0.03  -0.04  -0.03     0.25  -0.24  -0.15
    15   1     0.04  -0.15   0.17    -0.04   0.05  -0.20    -0.14   0.12  -0.11
    16   6     0.00  -0.01   0.01     0.01   0.01  -0.04    -0.05   0.08   0.07
    17   1     0.05  -0.02   0.00     0.30   0.05   0.16    -0.10  -0.07  -0.04
    18   1     0.01   0.09  -0.11     0.10   0.07  -0.11    -0.11  -0.16  -0.01
    19   1     0.06   0.28  -0.03     0.05   0.22  -0.09    -0.07  -0.12  -0.01
    20   1     0.10   0.23  -0.05     0.06  -0.12  -0.10    -0.19  -0.23   0.00
    21   1    -0.15   0.25   0.21     0.08  -0.30  -0.29     0.07  -0.09  -0.06
    22   1     0.05  -0.00  -0.27    -0.06  -0.13   0.08    -0.08   0.12   0.32
    23   1    -0.02   0.06  -0.16    -0.12   0.02   0.29    -0.00   0.01   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    744.1165               771.3808               843.9545
 Red. masses --      2.0765                 1.6692                 3.2553
 Frc consts  --      0.6774                 0.5852                 1.3661
 IR Inten    --     26.6792                28.0750                 1.6239
 RamAct Fr= 1--      1.1826                 1.9409                 3.0676
  Dep-P Fr= 1--      0.2951                 0.3806                 0.4217
  Dep-U Fr= 1--      0.4557                 0.5514                 0.5932
 Alpha2 Fr= 1--      0.0123                 0.0154                 0.0210
 Beta2  Fr= 1--      0.0898                 0.1784                 0.3033
 AlphaG Fr= 1--     -0.0164                 0.0054                -0.0370
 Gamma2 Fr= 1--      0.3822                -0.3698                 0.7336
 Delta2 Fr= 1--     -0.0553                 0.2965                 0.2830
 Raman1 Fr= 1--       4.730                  7.763                 12.270
 ROA1   Fr= 1--      34.919                -26.012                 79.482
 CID1   Fr= 1--       7.382                 -3.350                  6.478
 Raman2 Fr= 1--       1.078                  2.140                  3.639
 ROA2   Fr= 1--       9.615                -11.247                 15.343
 CID2   Fr= 1--       8.921                 -5.254                  4.216
 Raman3 Fr= 1--       2.156                  4.281                  7.278
 ROA3   Fr= 1--      34.919                -26.012                 79.482
 CID3   Fr= 1--      16.199                 -6.076                 10.920
 RC180  Fr= 1--      -0.089                  0.103                  0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.13    -0.00   0.00  -0.01     0.08   0.11   0.02
     2   6    -0.05   0.03   0.03     0.01  -0.02  -0.11    -0.16   0.06  -0.02
     3   6     0.02  -0.04   0.04     0.01   0.02  -0.09     0.03  -0.15   0.05
     4   6     0.02  -0.06  -0.12    -0.01   0.04   0.17     0.05  -0.13   0.02
     5   6    -0.04   0.01   0.14     0.01  -0.01  -0.04     0.02  -0.05  -0.04
     6   6    -0.04   0.02  -0.12     0.02  -0.03  -0.00    -0.04  -0.06  -0.01
     7   6     0.00  -0.05   0.03    -0.02   0.04  -0.03     0.05   0.09  -0.08
     8   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.01    -0.08  -0.05  -0.05
     9   8     0.05   0.03  -0.02    -0.01  -0.01   0.01    -0.04  -0.07   0.03
    10   6     0.01   0.02   0.04    -0.01  -0.02  -0.01     0.11   0.19   0.01
    11   1     0.03   0.10   0.39    -0.02   0.08   0.54     0.10   0.06  -0.18
    12   1    -0.11   0.02   0.49    -0.03   0.12   0.54    -0.20  -0.04  -0.04
    13   1    -0.06   0.05   0.56     0.01   0.05   0.10    -0.19  -0.23  -0.12
    14   1    -0.03   0.06   0.09    -0.01   0.06   0.49     0.08  -0.01   0.14
    15   1    -0.04   0.00   0.08     0.09  -0.01  -0.07     0.26   0.03  -0.13
    16   6    -0.01  -0.00   0.02     0.00   0.00  -0.02    -0.02   0.10   0.07
    17   1    -0.06   0.02  -0.04    -0.03  -0.03  -0.00    -0.00  -0.16   0.01
    18   1    -0.01  -0.01   0.05    -0.02  -0.02  -0.00    -0.10  -0.12  -0.12
    19   1     0.12   0.19  -0.08    -0.03  -0.05   0.01     0.15   0.25  -0.03
    20   1    -0.09  -0.15  -0.07     0.01  -0.00   0.01     0.25   0.13  -0.06
    21   1    -0.07   0.12   0.11     0.10  -0.12  -0.11     0.05  -0.17  -0.14
    22   1     0.02   0.02  -0.10    -0.02   0.02   0.15    -0.10  -0.03   0.21
    23   1    -0.01   0.03  -0.07     0.04  -0.05   0.04    -0.13   0.10   0.36
                     19                     20                     21
                      A                      A                      A
 Frequencies --    877.7424               889.5115               935.5473
 Red. masses --      1.3484                 2.7790                 2.7401
 Frc consts  --      0.6121                 1.2955                 1.4130
 IR Inten    --      0.0483                 3.4335                14.7731
 RamAct Fr= 1--      0.9502                 3.8557                 3.5705
  Dep-P Fr= 1--      0.5404                 0.1820                 0.7498
  Dep-U Fr= 1--      0.7016                 0.3079                 0.8570
 Alpha2 Fr= 1--      0.0038                 0.0549                 0.0000
 Beta2  Fr= 1--      0.1111                 0.1979                 0.5100
 AlphaG Fr= 1--     -0.0123                 0.0325                 0.0005
 Gamma2 Fr= 1--      0.4382                 1.5895                -1.1625
 Delta2 Fr= 1--      0.1318                 1.4366                -0.5462
 Raman1 Fr= 1--       3.801                 15.423                 14.282
 ROA1   Fr= 1--      46.283                198.563               -129.075
 CID1   Fr= 1--      12.177                 12.875                 -9.038
 Raman2 Fr= 1--       1.333                  2.374                  6.120
 ROA2   Fr= 1--       9.461                 26.656                -23.529
 CID2   Fr= 1--       7.096                 11.227                 -3.845
 Raman3 Fr= 1--       2.667                  4.748                 12.239
 ROA3   Fr= 1--      46.283                198.563               -129.075
 CID3   Fr= 1--      17.355                 41.817                -10.546
 RC180  Fr= 1--       0.403                 -0.384                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.06     0.10   0.08   0.00     0.02   0.01   0.02
     2   6     0.01  -0.01  -0.04    -0.07   0.03  -0.01    -0.05   0.00   0.02
     3   6    -0.01   0.03   0.09     0.04  -0.04   0.00     0.02   0.01  -0.03
     4   6    -0.00   0.00  -0.05    -0.02  -0.03   0.01    -0.02   0.00   0.01
     5   6    -0.01   0.00   0.03     0.01  -0.05   0.00     0.02   0.00  -0.00
     6   6     0.01  -0.01  -0.10     0.01  -0.09   0.02    -0.01  -0.01  -0.03
     7   6    -0.01  -0.01   0.00    -0.18  -0.00   0.06    -0.04   0.06   0.08
     8   6     0.02   0.01   0.00     0.07   0.08   0.19    -0.13   0.17  -0.11
     9   8     0.01   0.00  -0.01     0.02   0.03  -0.08    -0.06  -0.06   0.11
    10   6    -0.01  -0.01   0.03    -0.01   0.08  -0.01     0.15  -0.10   0.03
    11   1     0.03  -0.08  -0.41     0.15   0.02  -0.04     0.08  -0.06  -0.09
    12   1    -0.01   0.05   0.29    -0.09  -0.02  -0.03    -0.05  -0.06  -0.16
    13   1     0.05  -0.08  -0.53    -0.04  -0.05   0.02     0.01   0.05   0.18
    14   1    -0.05   0.11   0.60     0.12  -0.07   0.04    -0.01   0.03   0.16
    15   1    -0.07   0.03   0.03    -0.38  -0.21  -0.11     0.10   0.32   0.28
    16   6    -0.00  -0.01   0.01    -0.00  -0.08  -0.13     0.05  -0.09  -0.09
    17   1    -0.02   0.02  -0.01     0.47   0.28   0.19     0.19   0.17  -0.03
    18   1     0.02   0.02   0.04    -0.01  -0.13  -0.14    -0.18   0.02  -0.35
    19   1     0.02   0.08  -0.04     0.02   0.04   0.01     0.15   0.00  -0.04
    20   1    -0.06  -0.11  -0.04    -0.09   0.11   0.02     0.28  -0.18  -0.05
    21   1    -0.03   0.05   0.05     0.13  -0.12  -0.16    -0.05   0.09   0.05
    22   1     0.01   0.01  -0.05     0.01   0.04   0.11     0.10  -0.06  -0.30
    23   1     0.01  -0.00  -0.05     0.17  -0.19  -0.21     0.04  -0.03  -0.26
                     22                     23                     24
                      A                      A                      A
 Frequencies --    941.7504               964.2064               977.4966
 Red. masses --      1.3896                 1.2465                 1.6451
 Frc consts  --      0.7261                 0.6828                 0.9261
 IR Inten    --      2.5474                 0.0874                11.6532
 RamAct Fr= 1--      0.5407                 0.0536                 1.3553
  Dep-P Fr= 1--      0.6918                 0.4813                 0.7409
  Dep-U Fr= 1--      0.8178                 0.6498                 0.8511
 Alpha2 Fr= 1--      0.0006                 0.0003                 0.0002
 Beta2  Fr= 1--      0.0737                 0.0058                 0.1923
 AlphaG Fr= 1--      0.0003                -0.0019                 0.0043
 Gamma2 Fr= 1--      0.7624                -0.2061                 0.5496
 Delta2 Fr= 1--     -0.0870                 0.1668                 0.1448
 Raman1 Fr= 1--       2.163                  0.215                  5.421
 ROA1   Fr= 1--      70.402                -14.445                 57.395
 CID1   Fr= 1--      32.552                -67.340                 10.587
 Raman2 Fr= 1--       0.884                  0.070                  2.307
 ROA2   Fr= 1--      18.993                 -6.280                 12.031
 CID2   Fr= 1--      21.477                -90.101                  5.215
 Raman3 Fr= 1--       1.769                  0.139                  4.614
 ROA3   Fr= 1--      70.402                -14.445                 57.395
 CID3   Fr= 1--      39.804               -103.625                 12.438
 RC180  Fr= 1--       0.636                  0.300                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05     0.01  -0.02  -0.09     0.01   0.01  -0.00
     2   6     0.01   0.01   0.08    -0.01   0.02   0.08    -0.03   0.01  -0.01
     3   6     0.00  -0.01  -0.10    -0.00   0.01   0.06     0.00  -0.03   0.00
     4   6     0.00   0.01   0.04    -0.00   0.00   0.01    -0.01   0.01   0.01
     5   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.02  -0.01  -0.04
     6   6     0.01  -0.01  -0.09     0.00  -0.01  -0.04     0.00  -0.02   0.03
     7   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03  -0.03  -0.06
     8   6     0.02  -0.03   0.00     0.01   0.01   0.00     0.13   0.07  -0.05
     9   8     0.01   0.01  -0.02    -0.00  -0.00   0.00    -0.05  -0.03   0.04
    10   6    -0.03   0.01   0.02     0.00   0.00  -0.01     0.04   0.00   0.05
    11   1     0.01  -0.05  -0.27    -0.04   0.11   0.61     0.01   0.01  -0.00
    12   1     0.05  -0.09  -0.48     0.04  -0.10  -0.53    -0.03   0.02   0.02
    13   1    -0.03   0.11   0.54     0.03  -0.08  -0.43    -0.01  -0.03   0.02
    14   1    -0.04   0.10   0.53    -0.02   0.05   0.31     0.03  -0.03  -0.10
    15   1     0.04  -0.06  -0.05    -0.00   0.00   0.00    -0.07   0.03  -0.01
    16   6    -0.01   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.02   0.03
    17   1    -0.07  -0.03  -0.02    -0.00   0.00   0.00    -0.27  -0.02  -0.10
    18   1     0.03   0.00   0.09     0.01   0.02   0.00     0.23   0.39   0.25
    19   1    -0.02   0.07  -0.03    -0.01  -0.01   0.01     0.03   0.16  -0.06
    20   1    -0.07  -0.06  -0.03     0.02   0.01   0.00     0.12  -0.15  -0.08
    21   1     0.04  -0.03  -0.03     0.00   0.01   0.01     0.11   0.14   0.17
    22   1    -0.02   0.03   0.10    -0.00   0.01   0.02    -0.01   0.31   0.33
    23   1     0.02  -0.02   0.03     0.02  -0.01  -0.02     0.25  -0.19  -0.36
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.0376              1037.8521              1063.5107
 Red. masses --      2.0015                 1.8237                 2.4345
 Frc consts  --      1.2366                 1.1574                 1.6224
 IR Inten    --     15.0341                 2.5286                 8.1768
 RamAct Fr= 1--      2.8369                 1.3048                38.7120
  Dep-P Fr= 1--      0.5233                 0.2895                 0.0545
  Dep-U Fr= 1--      0.6870                 0.4490                 0.1034
 Alpha2 Fr= 1--      0.0125                 0.0138                 0.7565
 Beta2  Fr= 1--      0.3248                 0.0976                 0.6672
 AlphaG Fr= 1--      0.0347                -0.0000                -0.0548
 Gamma2 Fr= 1--      1.1765                -0.3679                 1.1861
 Delta2 Fr= 1--      0.3937                -0.0755                 0.7788
 Raman1 Fr= 1--      11.348                  5.219                154.848
 ROA1   Fr= 1--     125.536                -37.732                138.782
 CID1   Fr= 1--      11.063                 -7.229                  0.896
 Raman2 Fr= 1--       3.898                  1.172                  8.007
 ROA2   Fr= 1--      25.086                 -8.224                 22.235
 CID2   Fr= 1--       6.435                 -7.019                  2.777
 Raman3 Fr= 1--       7.796                  2.343                 16.014
 ROA3   Fr= 1--     125.536                -37.732                138.782
 CID3   Fr= 1--      16.102                -16.101                  8.666
 RC180  Fr= 1--       0.374                 -0.102                 -0.793
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.01  -0.04  -0.00     0.11   0.17  -0.02
     2   6     0.00   0.02  -0.00     0.01  -0.02   0.00     0.17  -0.12   0.03
     3   6     0.00  -0.03   0.00    -0.01   0.07   0.00    -0.10   0.09  -0.02
     4   6    -0.03   0.04   0.03     0.02  -0.03   0.00    -0.03  -0.03  -0.00
     5   6    -0.01  -0.03  -0.09     0.02  -0.04  -0.10    -0.05   0.01  -0.00
     6   6     0.01  -0.05   0.04    -0.02   0.09   0.02    -0.06  -0.11   0.02
     7   6    -0.00   0.14   0.02    -0.01  -0.07   0.05     0.00  -0.01   0.00
     8   6     0.02  -0.09  -0.01    -0.04   0.03  -0.01     0.01   0.03  -0.03
     9   8     0.05  -0.04  -0.04     0.02   0.02  -0.04     0.03  -0.03   0.02
    10   6    -0.09   0.07   0.12     0.03  -0.02   0.16    -0.02   0.02   0.00
    11   1    -0.03   0.08   0.04     0.05  -0.10   0.07    -0.03   0.35  -0.07
    12   1     0.04   0.08  -0.05    -0.03  -0.13   0.00     0.10  -0.34   0.07
    13   1     0.03  -0.03  -0.02     0.01   0.05  -0.11    -0.54   0.02  -0.04
    14   1     0.06  -0.07  -0.08    -0.03   0.06  -0.15    -0.50  -0.21  -0.00
    15   1    -0.07   0.42   0.25     0.14  -0.27  -0.13     0.11  -0.01  -0.00
    16   6     0.06  -0.07  -0.03    -0.00   0.05  -0.03     0.00   0.01  -0.00
    17   1    -0.16  -0.07  -0.06     0.09   0.17  -0.04    -0.01   0.03  -0.03
    18   1    -0.01  -0.24   0.26    -0.07  -0.07  -0.07     0.01   0.01   0.02
    19   1    -0.08   0.36  -0.10     0.05   0.44  -0.17     0.02   0.02   0.00
    20   1    -0.15  -0.26  -0.13    -0.12  -0.49  -0.18     0.08   0.02  -0.01
    21   1    -0.11   0.15   0.14     0.10  -0.19  -0.21     0.01  -0.02  -0.02
    22   1     0.11  -0.06  -0.35    -0.08  -0.05   0.19    -0.01  -0.01   0.02
    23   1    -0.03   0.05  -0.17    -0.02  -0.01   0.20    -0.01   0.00   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1088.8058              1131.5103              1144.2251
 Red. masses --      2.1825                 2.1641                 3.4227
 Frc consts  --      1.5244                 1.6325                 2.6402
 IR Inten    --     10.3766                 6.5338                61.9838
 RamAct Fr= 1--      8.0762                 3.0043                 1.9018
  Dep-P Fr= 1--      0.1396                 0.5513                 0.2504
  Dep-U Fr= 1--      0.2450                 0.7107                 0.4005
 Alpha2 Fr= 1--      0.1282                 0.0114                 0.0225
 Beta2  Fr= 1--      0.3298                 0.3559                 0.1270
 AlphaG Fr= 1--      0.0128                 0.0261                -0.0470
 Gamma2 Fr= 1--     -1.1480                 0.5406                -0.2541
 Delta2 Fr= 1--      0.1897                -0.3495                 0.5843
 Raman1 Fr= 1--      32.305                 12.017                  7.607
 ROA1   Fr= 1--    -104.140                 40.713                 -5.691
 CID1   Fr= 1--      -3.224                  3.388                 -0.748
 Raman2 Fr= 1--       3.958                  4.271                  1.523
 ROA2   Fr= 1--     -29.070                 15.770                -10.772
 CID2   Fr= 1--      -7.344                  3.693                 -7.071
 Raman3 Fr= 1--       7.916                  8.541                  3.047
 ROA3   Fr= 1--    -104.140                 40.713                 -5.691
 CID3   Fr= 1--     -13.155                  4.767                 -1.868
 RC180  Fr= 1--      -0.510                  0.421                 -0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04   0.00    -0.00   0.04  -0.01    -0.01  -0.03   0.00
     2   6     0.03  -0.01   0.00    -0.01   0.05  -0.01     0.01   0.01   0.00
     3   6     0.01   0.04   0.01     0.05  -0.09   0.03     0.02   0.04  -0.02
     4   6     0.10  -0.07  -0.05    -0.05   0.07  -0.05    -0.03  -0.03   0.05
     5   6    -0.04  -0.02   0.03    -0.01   0.08   0.01    -0.07  -0.05   0.00
     6   6    -0.00   0.06  -0.01     0.00  -0.11   0.02     0.04   0.02  -0.00
     7   6     0.04   0.06   0.08    -0.02  -0.04   0.17    -0.07  -0.11  -0.12
     8   6    -0.04   0.03  -0.02     0.02  -0.01  -0.12     0.02   0.20  -0.10
     9   8     0.08  -0.09   0.03     0.02  -0.02   0.05     0.13  -0.16   0.08
    10   6    -0.12   0.08  -0.03    -0.05  -0.02  -0.00    -0.16   0.12   0.01
    11   1    -0.05  -0.06  -0.02    -0.18   0.23  -0.06     0.08  -0.13   0.03
    12   1     0.04   0.04   0.02     0.10   0.37  -0.05     0.03   0.06  -0.01
    13   1     0.01   0.03  -0.04     0.32  -0.05  -0.00     0.17   0.08   0.04
    14   1     0.03   0.07  -0.02    -0.12  -0.14   0.01     0.31   0.07   0.02
    15   1     0.44   0.17   0.16     0.01  -0.18   0.05    -0.29  -0.24  -0.23
    16   6    -0.10  -0.02  -0.08     0.03   0.06  -0.08     0.06   0.02   0.09
    17   1     0.08  -0.00   0.03    -0.19   0.16  -0.22     0.12   0.26  -0.09
    18   1    -0.11  -0.26   0.00     0.07   0.11   0.18    -0.01   0.02  -0.02
    19   1    -0.04  -0.06   0.06    -0.08  -0.04   0.01    -0.06   0.04   0.04
    20   1     0.02   0.19   0.04     0.09  -0.01  -0.00     0.20   0.12  -0.03
    21   1     0.25  -0.04  -0.08     0.12  -0.28  -0.34    -0.23   0.06   0.11
    22   1    -0.05   0.24   0.40    -0.08  -0.13   0.12     0.04  -0.17  -0.28
    23   1     0.25  -0.25  -0.27    -0.02  -0.02   0.25    -0.20   0.20   0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1157.1200              1186.3515              1217.2456
 Red. masses --      1.6455                 1.1203                 1.9545
 Frc consts  --      1.2981                 0.9290                 1.7063
 IR Inten    --      2.5336                 0.3320                 1.2603
 RamAct Fr= 1--      1.9365                 5.1959                10.3870
  Dep-P Fr= 1--      0.7499                 0.6408                 0.1413
  Dep-U Fr= 1--      0.8571                 0.7811                 0.2476
 Alpha2 Fr= 1--      0.0000                 0.0102                 0.1641
 Beta2  Fr= 1--      0.2766                 0.6764                 0.4286
 AlphaG Fr= 1--      0.0000                -0.0168                -0.0635
 Gamma2 Fr= 1--      0.3501                -0.9279                -1.3083
 Delta2 Fr= 1--      0.0752                 0.0746                -1.1054
 Raman1 Fr= 1--       7.746                 20.784                 41.548
 ROA1   Fr= 1--      36.018                -86.692               -160.969
 CID1   Fr= 1--       4.650                 -4.171                 -3.874
 Raman2 Fr= 1--       3.320                  8.117                  5.143
 ROA2   Fr= 1--       7.802                -22.867                -22.556
 CID2   Fr= 1--       2.350                 -2.817                 -4.385
 Raman3 Fr= 1--       6.639                 16.234                 10.287
 ROA3   Fr= 1--      36.018                -86.692               -160.969
 CID3   Fr= 1--       5.425                 -5.340                -15.648
 RC180  Fr= 1--       0.714                  0.562                 -0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.04  -0.04   0.01    -0.07  -0.03   0.00
     2   6    -0.02  -0.03   0.00     0.02   0.06  -0.01     0.03   0.00   0.00
     3   6    -0.06   0.06  -0.01    -0.03  -0.01   0.00     0.02  -0.01  -0.00
     4   6    -0.05  -0.03  -0.02     0.01  -0.00   0.00     0.22  -0.03   0.05
     5   6     0.01  -0.03   0.03     0.01   0.01   0.00     0.02  -0.07   0.02
     6   6     0.05   0.06  -0.01    -0.03   0.00  -0.00    -0.07   0.05  -0.02
     7   6    -0.05   0.04   0.09    -0.01   0.00  -0.00    -0.05   0.05   0.02
     8   6     0.07  -0.06  -0.06     0.00   0.00  -0.01     0.01  -0.02  -0.04
     9   8    -0.03   0.00   0.02     0.00  -0.00   0.00    -0.02   0.01   0.01
    10   6     0.01   0.03  -0.03    -0.01  -0.00   0.00     0.03   0.01  -0.00
    11   1     0.31  -0.32   0.08     0.39  -0.45   0.11    -0.31   0.23  -0.06
    12   1    -0.15  -0.37   0.06     0.20   0.55  -0.08     0.02  -0.04   0.01
    13   1    -0.28   0.02  -0.04    -0.37  -0.08  -0.01    -0.20  -0.06  -0.00
    14   1     0.40   0.13   0.01    -0.35  -0.06  -0.01    -0.23   0.02  -0.02
    15   1    -0.09   0.07   0.12    -0.04  -0.01  -0.01    -0.77   0.01   0.01
    16   6     0.04   0.02  -0.06     0.00   0.00  -0.00     0.02   0.00  -0.03
    17   1    -0.23   0.01  -0.14    -0.00   0.01  -0.01    -0.10   0.10  -0.11
    18   1     0.13   0.08   0.25    -0.00  -0.00   0.00     0.02   0.01   0.07
    19   1    -0.11  -0.05   0.03    -0.02  -0.00   0.00    -0.06  -0.00   0.01
    20   1     0.12   0.12   0.01    -0.00   0.00   0.00     0.15   0.03  -0.01
    21   1     0.04  -0.14  -0.18    -0.01   0.00   0.00    -0.02  -0.03  -0.06
    22   1    -0.02  -0.10  -0.02     0.00  -0.00  -0.01     0.00  -0.02  -0.01
    23   1    -0.03   0.02   0.12    -0.01   0.00   0.01    -0.04   0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1228.9168              1254.4697              1286.4224
 Red. masses --      2.9533                 1.1474                 1.5934
 Frc consts  --      2.6279                 1.0638                 1.5536
 IR Inten    --     10.0118                 8.6617                 4.6922
 RamAct Fr= 1--     18.6431                 3.4396                 4.5813
  Dep-P Fr= 1--      0.1111                 0.4775                 0.2914
  Dep-U Fr= 1--      0.2000                 0.6463                 0.4513
 Alpha2 Fr= 1--      0.3176                 0.0188                 0.0482
 Beta2  Fr= 1--      0.6214                 0.3705                 0.3446
 AlphaG Fr= 1--      0.0048                 0.0362                 0.0273
 Gamma2 Fr= 1--     -1.1981                -0.4167                 2.4171
 Delta2 Fr= 1--     -0.7179                -1.8855                -1.2160
 Raman1 Fr= 1--      74.572                 13.758                 18.325
 ROA1   Fr= 1--    -137.992               -100.337                193.133
 CID1   Fr= 1--      -1.850                 -7.293                 10.539
 Raman2 Fr= 1--       7.457                  4.446                  4.135
 ROA2   Fr= 1--     -23.011                  5.085                 67.739
 CID2   Fr= 1--      -3.086                  1.144                 16.380
 Raman3 Fr= 1--      14.914                  8.893                  8.271
 ROA3   Fr= 1--    -137.992               -100.337                193.133
 CID3   Fr= 1--      -9.252                -11.283                 23.351
 RC180  Fr= 1--      -0.600                  0.293                 -0.097
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     2   6    -0.11  -0.00  -0.01     0.01   0.00   0.00     0.02  -0.02   0.01
     3   6    -0.05  -0.11   0.02    -0.01  -0.00  -0.00    -0.01  -0.04   0.01
     4   6     0.06   0.09  -0.01    -0.01   0.03   0.00     0.02   0.10  -0.01
     5   6     0.26   0.18  -0.01    -0.03  -0.03  -0.03    -0.11   0.05  -0.01
     6   6     0.04   0.03  -0.00    -0.01  -0.01   0.01     0.01  -0.05   0.01
     7   6     0.01  -0.02  -0.01     0.03  -0.00   0.03     0.10  -0.01   0.01
     8   6    -0.03   0.05  -0.03    -0.03   0.01  -0.01    -0.07  -0.01   0.00
     9   8     0.06  -0.06   0.03     0.04  -0.02   0.02     0.02   0.02  -0.03
    10   6    -0.14  -0.06   0.01    -0.01   0.02  -0.01    -0.00  -0.03   0.03
    11   1    -0.02   0.04  -0.01     0.01  -0.01   0.01    -0.04   0.03  -0.01
    12   1    -0.29  -0.46   0.07     0.02   0.01  -0.01     0.06   0.09  -0.01
    13   1    -0.48  -0.20   0.01    -0.07  -0.01  -0.01    -0.49  -0.13  -0.00
    14   1    -0.14   0.01  -0.00     0.13   0.01   0.00     0.61   0.06   0.03
    15   1    -0.04  -0.04  -0.04    -0.27   0.06   0.09    -0.20  -0.15  -0.10
    16   6    -0.01   0.00   0.01    -0.00   0.02  -0.02    -0.03  -0.01  -0.00
    17   1     0.07   0.08  -0.01    -0.03  -0.37   0.14     0.08   0.12  -0.02
    18   1    -0.06  -0.06  -0.04     0.06   0.41  -0.22    -0.07  -0.02  -0.12
    19   1    -0.18  -0.11   0.02     0.54  -0.00  -0.01    -0.11   0.04  -0.02
    20   1    -0.39  -0.09   0.03    -0.45   0.01   0.03     0.37  -0.07  -0.04
    21   1     0.00   0.01   0.02     0.05  -0.05  -0.08     0.07   0.05   0.06
    22   1     0.00   0.02   0.02    -0.02  -0.01   0.04     0.00   0.09   0.07
    23   1     0.00  -0.00  -0.01     0.02  -0.02   0.05     0.04  -0.06  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1310.0657              1332.4839              1348.4035
 Red. masses --      1.4228                 2.3005                 1.5786
 Frc consts  --      1.4387                 2.4066                 1.6910
 IR Inten    --      3.2855                 0.5223                 3.7080
 RamAct Fr= 1--      6.2618                10.7019                 9.3243
  Dep-P Fr= 1--      0.2269                 0.2875                 0.4290
  Dep-U Fr= 1--      0.3699                 0.4466                 0.6004
 Alpha2 Fr= 1--      0.0791                 0.1139                 0.0621
 Beta2  Fr= 1--      0.3860                 0.7966                 0.9331
 AlphaG Fr= 1--      0.0761                -0.1053                -0.1148
 Gamma2 Fr= 1--     -1.0361                -1.0832                -0.5027
 Delta2 Fr= 1--      1.6564                 1.5198                -2.0318
 Raman1 Fr= 1--      25.047                 42.808                 37.297
 ROA1   Fr= 1--     -46.463                -55.354               -113.275
 CID1   Fr= 1--      -1.855                 -1.293                 -3.037
 Raman2 Fr= 1--       4.632                  9.560                 11.197
 ROA2   Fr= 1--     -38.119                -38.156                  4.190
 CID2   Fr= 1--      -8.230                 -3.991                  0.374
 Raman3 Fr= 1--       9.264                 19.119                 22.394
 ROA3   Fr= 1--     -46.463                -55.354               -113.275
 CID3   Fr= 1--      -5.016                 -2.895                 -5.058
 RC180  Fr= 1--      -0.260                 -0.107                  0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.01    -0.08   0.07  -0.02     0.04  -0.04   0.01
     2   6    -0.01  -0.05   0.01    -0.05  -0.10   0.02     0.02   0.04  -0.01
     3   6     0.06  -0.00   0.01     0.12   0.00   0.00    -0.05  -0.01  -0.00
     4   6     0.04  -0.04   0.00     0.02  -0.11   0.03     0.00   0.07   0.01
     5   6    -0.05   0.07  -0.04    -0.05   0.14  -0.02     0.01  -0.04  -0.00
     6   6     0.04   0.00   0.01     0.10   0.03   0.00    -0.06  -0.02  -0.00
     7   6    -0.05   0.04   0.00    -0.07  -0.08  -0.04     0.03  -0.13  -0.08
     8   6     0.05  -0.01  -0.02     0.02   0.04   0.04     0.03   0.02   0.02
     9   8    -0.05   0.03   0.05     0.01   0.02  -0.05    -0.04   0.01   0.03
    10   6    -0.01  -0.03  -0.03    -0.05  -0.05   0.03     0.02   0.01  -0.02
    11   1    -0.03   0.00  -0.00     0.02  -0.05   0.01    -0.05   0.06  -0.01
    12   1     0.04   0.10  -0.02     0.04   0.15  -0.02     0.01   0.00   0.00
    13   1    -0.22  -0.06  -0.01    -0.24  -0.07   0.01    -0.01   0.00   0.01
    14   1     0.11   0.02   0.00    -0.05   0.00  -0.01     0.16   0.02   0.01
    15   1     0.17  -0.20  -0.20    -0.07   0.48   0.43    -0.05   0.51   0.45
    16   6     0.01  -0.03   0.02     0.02   0.05  -0.03    -0.01   0.06  -0.02
    17   1    -0.04   0.26  -0.14    -0.03  -0.38   0.19     0.12   0.34  -0.08
    18   1    -0.03  -0.34   0.24     0.03   0.07  -0.06    -0.07  -0.40   0.17
    19   1     0.65  -0.00  -0.04    -0.03   0.04  -0.04     0.18   0.00  -0.01
    20   1    -0.26   0.04   0.04     0.32  -0.06  -0.02    -0.15   0.05   0.03
    21   1    -0.05   0.06   0.08    -0.02  -0.09  -0.14     0.03  -0.07  -0.11
    22   1     0.04   0.01  -0.06    -0.06  -0.09   0.07    -0.09  -0.07   0.12
    23   1    -0.04   0.03  -0.05    -0.03   0.03   0.14     0.04  -0.03   0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1359.6073              1382.8457              1403.0985
 Red. masses --      1.8434                 1.2976                 1.2715
 Frc consts  --      2.0076                 1.4619                 1.4749
 IR Inten    --      2.6903                 3.4691                 7.5370
 RamAct Fr= 1--      3.0537                 0.5460                 1.5993
  Dep-P Fr= 1--      0.0683                 0.4365                 0.2592
  Dep-U Fr= 1--      0.1279                 0.6077                 0.4117
 Alpha2 Fr= 1--      0.0577                 0.0035                 0.0185
 Beta2  Fr= 1--      0.0651                 0.0553                 0.1097
 AlphaG Fr= 1--      0.0588                 0.0053                -0.0175
 Gamma2 Fr= 1--      0.3899                -0.0736                 0.1548
 Delta2 Fr= 1--      0.8006                -0.1709                -0.1095
 Raman1 Fr= 1--      12.215                  2.184                  6.397
 ROA1   Fr= 1--      63.046                -12.536                 11.354
 CID1   Fr= 1--       5.161                 -5.740                  1.775
 Raman2 Fr= 1--       0.781                  0.664                  1.317
 ROA2   Fr= 1--       2.952                 -0.399                  4.591
 CID2   Fr= 1--       3.779                 -0.601                  3.486
 Raman3 Fr= 1--       1.562                  1.327                  2.634
 ROA3   Fr= 1--      63.046                -12.536                 11.354
 CID3   Fr= 1--      40.361                 -9.445                  4.311
 RC180  Fr= 1--      -0.744                  0.215                 -0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.08   0.02     0.02  -0.00   0.00     0.01  -0.00   0.00
     2   6     0.02   0.04  -0.01     0.01   0.04  -0.01     0.01   0.03  -0.00
     3   6    -0.02  -0.01   0.00    -0.05  -0.01  -0.00    -0.03  -0.01   0.00
     4   6     0.10   0.08  -0.02    -0.01   0.01   0.00     0.01   0.00  -0.00
     5   6     0.01  -0.03   0.01     0.04  -0.01   0.00     0.02  -0.00   0.00
     6   6    -0.09  -0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
     7   6    -0.17  -0.02   0.01     0.04  -0.00   0.03    -0.02   0.01  -0.01
     8   6     0.05   0.05   0.02     0.02   0.07  -0.01    -0.02  -0.04   0.01
     9   8    -0.00  -0.00  -0.03    -0.02   0.03  -0.02     0.01   0.02  -0.00
    10   6     0.00  -0.00   0.01    -0.08  -0.04   0.01    -0.07  -0.03   0.01
    11   1    -0.21   0.20  -0.06     0.08  -0.07   0.02     0.04  -0.04   0.01
    12   1     0.04   0.09  -0.01    -0.06  -0.14   0.02    -0.04  -0.10   0.01
    13   1    -0.24  -0.05  -0.01     0.18   0.03   0.01     0.11   0.02  -0.00
    14   1     0.29   0.05   0.01    -0.09  -0.03  -0.00    -0.05  -0.02  -0.00
    15   1     0.62  -0.03  -0.02    -0.19  -0.12  -0.06     0.08   0.06   0.03
    16   6     0.05   0.00   0.01    -0.02   0.02   0.02     0.04  -0.05  -0.09
    17   1    -0.13  -0.42   0.16    -0.14  -0.40   0.13     0.09   0.13  -0.02
    18   1     0.05   0.07  -0.01    -0.11  -0.42   0.07     0.05   0.21  -0.01
    19   1    -0.02   0.00  -0.00     0.40   0.06  -0.06     0.28   0.08  -0.06
    20   1     0.09  -0.00  -0.00     0.48   0.05  -0.00     0.32   0.06   0.02
    21   1    -0.17  -0.04  -0.03     0.07  -0.09  -0.06    -0.16   0.37   0.26
    22   1     0.00  -0.12  -0.07    -0.01  -0.05  -0.11     0.02   0.14   0.43
    23   1    -0.06   0.09  -0.01     0.10  -0.05  -0.08    -0.28   0.08   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.1794              1486.7781              1490.0524
 Red. masses --      1.3198                 1.6298                 1.1659
 Frc consts  --      1.5706                 2.1227                 1.5252
 IR Inten    --      9.9674                 9.4606                 1.4798
 RamAct Fr= 1--      3.8069                 3.4482                12.2410
  Dep-P Fr= 1--      0.5106                 0.5500                 0.6739
  Dep-U Fr= 1--      0.6760                 0.7096                 0.8052
 Alpha2 Fr= 1--      0.0179                 0.0132                 0.0165
 Beta2  Fr= 1--      0.4289                 0.4078                 1.6428
 AlphaG Fr= 1--     -0.0394                -0.0053                 0.0261
 Gamma2 Fr= 1--     -0.3395                -0.3504                 0.0661
 Delta2 Fr= 1--      0.0396                 1.8929                 0.2186
 Raman1 Fr= 1--      15.228                 13.793                 48.964
 ROA1   Fr= 1--     -31.328                 26.937                 13.342
 CID1   Fr= 1--      -2.057                  1.953                  0.272
 Raman2 Fr= 1--       5.147                  4.894                 19.713
 ROA2   Fr= 1--      -8.466                -23.553                 -0.162
 CID2   Fr= 1--      -1.645                 -4.813                 -0.008
 Raman3 Fr= 1--      10.294                  9.788                 39.426
 ROA3   Fr= 1--     -31.328                 26.937                 13.342
 CID3   Fr= 1--      -3.043                  2.752                  0.338
 RC180  Fr= 1--       0.352                  0.419                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00     0.10  -0.05   0.02    -0.04   0.03  -0.01
     2   6     0.01   0.02  -0.00    -0.07  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.00   0.00     0.01   0.07  -0.01    -0.01  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.08  -0.06   0.01     0.03   0.01   0.00
     5   6     0.02  -0.01  -0.00     0.09  -0.01   0.01    -0.04   0.02  -0.01
     6   6    -0.01  -0.00  -0.00    -0.04   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.03   0.01  -0.03     0.02   0.02   0.00    -0.01   0.01   0.00
     8   6    -0.03  -0.09   0.03     0.00   0.00  -0.01     0.03   0.01   0.02
     9   8     0.02   0.02   0.00     0.00  -0.01   0.00     0.01  -0.01   0.01
    10   6    -0.08  -0.03   0.01    -0.02  -0.05  -0.00     0.02  -0.05   0.00
    11   1     0.01  -0.02   0.00    -0.24   0.34  -0.08     0.11  -0.14   0.03
    12   1    -0.03  -0.07   0.01     0.10   0.40  -0.07    -0.03  -0.15   0.02
    13   1     0.02   0.00   0.00    -0.09   0.06  -0.02     0.07  -0.01   0.01
    14   1    -0.05  -0.01  -0.00     0.11   0.09  -0.01     0.01  -0.03   0.01
    15   1     0.16   0.11   0.05    -0.09  -0.01  -0.02     0.01  -0.02  -0.02
    16   6    -0.02   0.03   0.07    -0.02  -0.01  -0.01     0.01   0.02  -0.01
    17   1     0.14   0.39  -0.11    -0.01  -0.02  -0.00    -0.34   0.07  -0.09
    18   1     0.10   0.44  -0.11     0.00   0.01   0.00    -0.03  -0.08  -0.34
    19   1     0.28   0.11  -0.08    -0.04   0.37  -0.28    -0.14   0.37  -0.27
    20   1     0.31   0.09   0.04     0.02   0.37   0.30    -0.14   0.34   0.30
    21   1     0.08  -0.28  -0.19     0.22   0.07   0.07    -0.20   0.10   0.05
    22   1    -0.01  -0.09  -0.30     0.04   0.07  -0.12    -0.13  -0.28   0.10
    23   1     0.16  -0.02  -0.28    -0.00  -0.06   0.15     0.19  -0.13  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1493.8160              1504.3650              1506.9346
 Red. masses --      1.0923                 1.1050                 1.1550
 Frc consts  --      1.4361                 1.4734                 1.5453
 IR Inten    --      6.0169                 1.5069                 6.3065
 RamAct Fr= 1--      2.8576                 5.0145                 2.8408
  Dep-P Fr= 1--      0.7077                 0.7499                 0.3323
  Dep-U Fr= 1--      0.8288                 0.8571                 0.4988
 Alpha2 Fr= 1--      0.0021                 0.0000                 0.0264
 Beta2  Fr= 1--      0.3948                 0.7163                 0.2362
 AlphaG Fr= 1--      0.0166                -0.0007                -0.0195
 Gamma2 Fr= 1--     -1.8449                 0.4086                -0.6034
 Delta2 Fr= 1--     -1.0993                -1.0793                 0.7630
 Raman1 Fr= 1--      11.430                 20.058                 11.363
 ROA1   Fr= 1--    -212.292                  4.693                -33.513
 CID1   Fr= 1--     -18.572                  0.234                 -2.949
 Raman2 Fr= 1--       4.737                  8.596                  2.834
 ROA2   Fr= 1--     -35.484                 18.442                -20.587
 CID2   Fr= 1--      -7.491                  2.145                 -7.264
 Raman3 Fr= 1--       9.474                 17.191                  5.668
 ROA3   Fr= 1--    -212.292                  4.693                -33.513
 CID3   Fr= 1--     -22.408                  0.273                 -5.912
 RC180  Fr= 1--       0.658                  0.714                 -0.002
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.00    -0.02   0.01  -0.00    -0.04   0.01  -0.00
     2   6     0.02   0.02  -0.00     0.02   0.03  -0.00     0.02   0.03  -0.00
     3   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.02  -0.02   0.00
     4   6     0.02   0.01   0.00     0.02   0.01  -0.00     0.02   0.02  -0.00
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.00    -0.03  -0.01  -0.00
     6   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     7   6     0.00  -0.02   0.01    -0.04  -0.02  -0.01    -0.02  -0.00  -0.00
     8   6    -0.01   0.01  -0.01     0.03   0.01   0.03    -0.04   0.01  -0.05
     9   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    10   6     0.02  -0.03   0.00     0.00   0.01   0.00     0.03  -0.03   0.00
    11   1     0.07  -0.09   0.02     0.04  -0.07   0.02     0.05  -0.10   0.02
    12   1    -0.01  -0.08   0.01    -0.03  -0.10   0.02    -0.04  -0.14   0.02
    13   1     0.06  -0.01  -0.00     0.00  -0.02  -0.00    -0.02  -0.03   0.00
    14   1     0.03  -0.01   0.01    -0.03  -0.02   0.00    -0.05  -0.03   0.00
    15   1    -0.03   0.02   0.05     0.08   0.03   0.03     0.05  -0.03  -0.03
    16   6     0.01  -0.04   0.02    -0.04  -0.02  -0.01    -0.02   0.01  -0.00
    17   1     0.09  -0.07   0.04    -0.28   0.06  -0.06     0.50  -0.17   0.14
    18   1    -0.01  -0.02   0.12    -0.01  -0.04  -0.28     0.03   0.12   0.53
    19   1    -0.09   0.22  -0.17    -0.00  -0.02   0.02    -0.08   0.17  -0.13
    20   1    -0.09   0.21   0.19    -0.01  -0.03  -0.02    -0.06   0.16   0.14
    21   1     0.00  -0.29  -0.21     0.61   0.08   0.10     0.21   0.14   0.12
    22   1     0.21   0.48   0.07     0.16   0.27  -0.38    -0.04  -0.14  -0.19
    23   1    -0.39   0.39  -0.22    -0.11  -0.05   0.38     0.15  -0.20   0.22
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2893              1625.7984              1651.6722
 Red. masses --      2.3865                 6.4059                 5.7908
 Frc consts  --      3.2971                 9.9762                 9.3076
 IR Inten    --     15.9820                 2.1688                 1.3194
 RamAct Fr= 1--      0.8352                14.4572                26.4742
  Dep-P Fr= 1--      0.6257                 0.4871                 0.7327
  Dep-U Fr= 1--      0.7697                 0.6551                 0.8457
 Alpha2 Fr= 1--      0.0019                 0.0757                 0.0078
 Beta2  Fr= 1--      0.1071                 1.5785                 3.7316
 AlphaG Fr= 1--     -0.0180                -0.2115                -0.0065
 Gamma2 Fr= 1--     -0.5604                 2.3726                -1.8169
 Delta2 Fr= 1--      0.2608                -1.6051                 2.9085
 Raman1 Fr= 1--       3.341                 57.829                105.897
 ROA1   Fr= 1--     -45.455                176.411                -81.351
 CID1   Fr= 1--     -13.606                  3.051                 -0.768
 Raman2 Fr= 1--       1.286                 18.942                 44.779
 ROA2   Fr= 1--     -15.537                 69.784                -66.874
 CID2   Fr= 1--     -12.084                  3.684                 -1.493
 Raman3 Fr= 1--       2.571                 37.885                 89.559
 ROA3   Fr= 1--     -45.455                176.411                -81.351
 CID3   Fr= 1--     -17.677                  4.657                 -0.908
 RC180  Fr= 1--       0.539                  0.310                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.02     0.15  -0.29   0.06    -0.21   0.05  -0.02
     2   6    -0.05   0.09  -0.02     0.03   0.33  -0.06     0.18   0.12  -0.01
     3   6     0.16   0.04   0.00    -0.03   0.15  -0.03     0.33   0.04   0.01
     4   6    -0.11   0.11  -0.03    -0.00  -0.32   0.06    -0.21  -0.08   0.00
     5   6    -0.05  -0.14   0.02    -0.11   0.30  -0.06     0.23   0.00   0.02
     6   6     0.16   0.02   0.01     0.02  -0.15   0.03    -0.33  -0.08  -0.01
     7   6     0.02  -0.03   0.01     0.01   0.04  -0.01     0.03   0.01   0.00
     8   6     0.01   0.01   0.01     0.00  -0.01  -0.00     0.01   0.00   0.00
     9   8     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.02  -0.00     0.02  -0.03   0.01    -0.03   0.00  -0.00
    11   1    -0.25   0.14  -0.04    -0.33   0.24  -0.07     0.04  -0.27   0.05
    12   1    -0.18  -0.22   0.03    -0.22  -0.35   0.05     0.06  -0.26   0.05
    13   1    -0.54  -0.09  -0.02    -0.05   0.15  -0.03    -0.42  -0.10  -0.00
    14   1    -0.54  -0.12  -0.02     0.02  -0.16   0.03     0.45   0.07   0.02
    15   1     0.10  -0.02   0.01    -0.20   0.03   0.00    -0.07  -0.01  -0.01
    16   6     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.01
    17   1    -0.08   0.02  -0.02     0.01  -0.01  -0.00    -0.03  -0.00  -0.00
    18   1    -0.02  -0.06  -0.08     0.02   0.05   0.02     0.00  -0.02  -0.02
    19   1     0.07   0.11  -0.07    -0.11  -0.08   0.04     0.04  -0.04   0.03
    20   1     0.09   0.13   0.07    -0.16  -0.12  -0.04     0.07  -0.01  -0.03
    21   1    -0.08  -0.03  -0.03    -0.00  -0.01  -0.01    -0.03   0.01   0.00
    22   1     0.01   0.03   0.08    -0.01  -0.01   0.00    -0.00   0.01   0.05
    23   1    -0.05   0.06  -0.06     0.02  -0.01  -0.03    -0.01   0.01  -0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.9015              2973.9070              3016.6346
 Red. masses --      1.0729                 1.0708                 1.0828
 Frc consts  --      5.4786                 5.5796                 5.8057
 IR Inten    --     53.9367                59.4086                33.5760
 RamAct Fr= 1--    172.0300               103.9187               114.2976
  Dep-P Fr= 1--      0.1820                 0.1899                 0.2020
  Dep-U Fr= 1--      0.3080                 0.3192                 0.3361
 Alpha2 Fr= 1--      2.4494                 1.4494                 1.5440
 Beta2  Fr= 1--      8.8295                 5.5279                 6.4022
 AlphaG Fr= 1--      2.4833                -0.2427                -2.1833
 Gamma2 Fr= 1--      9.4428                -8.7320               -10.2629
 Delta2 Fr= 1--      4.4135                -1.5189                -2.6869
 Raman1 Fr= 1--     688.120                415.675                457.190
 ROA1   Fr= 1--    1047.743               -886.881              -1071.218
 CID1   Fr= 1--       1.523                 -2.134                 -2.343
 Raman2 Fr= 1--     105.954                 66.335                 76.826
 ROA2   Fr= 1--     191.320               -197.418               -224.813
 CID2   Fr= 1--       1.806                 -2.976                 -2.926
 Raman3 Fr= 1--     211.908                132.670                153.653
 ROA3   Fr= 1--    1047.743               -886.881              -1071.218
 CID3   Fr= 1--       4.944                 -6.685                 -6.972
 RC180  Fr= 1--      -0.384                 -0.362                 -0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.01   0.01    -0.00   0.05  -0.06
     8   6     0.00   0.00   0.00     0.00  -0.03  -0.07     0.00  -0.00  -0.01
     9   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00    -0.01   0.10  -0.13     0.02  -0.62   0.75
    16   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    17   1     0.01  -0.03  -0.05    -0.19   0.33   0.88    -0.03   0.06   0.15
    18   1    -0.02   0.00   0.00     0.19  -0.06  -0.02     0.02  -0.00  -0.00
    19   1    -0.01   0.56   0.82    -0.01   0.03   0.04    -0.00   0.01   0.01
    20   1    -0.02   0.05  -0.11    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.03  -0.04
    22   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.10   0.04  -0.02
    23   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.05   0.05   0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.0658              3075.6648              3085.9820
 Red. masses --      1.0363                 1.0879                 1.0935
 Frc consts  --      5.6171                 6.0636                 6.1354
 IR Inten    --     31.9269                21.3002                27.4126
 RamAct Fr= 1--    206.7293               103.8800               123.1839
  Dep-P Fr= 1--      0.0398                 0.3318                 0.2297
  Dep-U Fr= 1--      0.0765                 0.4983                 0.3736
 Alpha2 Fr= 1--      4.1839                 0.9664                 1.5441
 Beta2  Fr= 1--      2.6361                 8.6273                 7.6712
 AlphaG Fr= 1--      0.3997                -1.6178                -0.1922
 Gamma2 Fr= 1--      1.1397                -3.8567                 2.1690
 Delta2 Fr= 1--      1.4264                -0.8919                 0.4584
 Raman1 Fr= 1--     826.917                415.520                492.735
 ROA1   Fr= 1--     155.061               -398.779                222.889
 CID1   Fr= 1--       0.188                 -0.960                  0.452
 Raman2 Fr= 1--      31.633                103.527                 92.054
 ROA2   Fr= 1--      15.943                -85.425                 48.388
 CID2   Fr= 1--       0.504                 -0.825                  0.526
 Raman3 Fr= 1--      63.265                207.054                184.109
 ROA3   Fr= 1--     155.061               -398.779                222.889
 CID3   Fr= 1--       2.451                 -1.926                  1.211
 RC180  Fr= 1--      -0.847                 -0.003                 -0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.08   0.03   0.02
     9   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.01   0.04  -0.07     0.00  -0.01   0.01
    11   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.02  -0.01     0.00  -0.01   0.00
    15   1     0.00  -0.05   0.06     0.00   0.00  -0.00    -0.00  -0.01   0.01
    16   6    -0.03   0.03   0.03     0.00   0.00   0.00     0.01   0.00   0.01
    17   1    -0.00   0.01   0.03     0.00  -0.01  -0.02     0.02  -0.06  -0.16
    18   1    -0.03   0.01   0.00     0.09  -0.02  -0.01     0.92  -0.25  -0.06
    19   1    -0.00   0.00   0.00     0.00   0.07   0.07     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.10  -0.59   0.79    -0.01   0.06  -0.08
    21   1     0.01   0.32  -0.38     0.00   0.00  -0.00     0.01   0.06  -0.07
    22   1     0.65  -0.27   0.11    -0.01   0.00  -0.00    -0.09   0.04  -0.02
    23   1    -0.32  -0.36  -0.11    -0.01  -0.01  -0.00    -0.08  -0.11  -0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3096.2558              3111.1214              3153.7078
 Red. masses --      1.0997                 1.1022                 1.0870
 Frc consts  --      6.2116                 6.2858                 6.3697
 IR Inten    --     45.6651                16.4119                14.1620
 RamAct Fr= 1--    109.5885                31.3563                33.4902
  Dep-P Fr= 1--      0.6731                 0.6996                 0.3970
  Dep-U Fr= 1--      0.8046                 0.8233                 0.5683
 Alpha2 Fr= 1--      0.1493                 0.0275                 0.2508
 Beta2  Fr= 1--     14.6959                 4.3025                 3.1721
 AlphaG Fr= 1--     -0.0596                 0.0212                -0.0963
 Gamma2 Fr= 1--     -4.0429                 4.1341                 0.0161
 Delta2 Fr= 1--     -3.0591                 4.3600                 1.1164
 Raman1 Fr= 1--     438.354                125.425                133.961
 ROA1   Fr= 1--    -486.010                536.393                 37.272
 CID1   Fr= 1--      -1.109                  4.277                  0.278
 Raman2 Fr= 1--     176.351                 51.630                 38.066
 ROA2   Fr= 1--     -72.557                 64.339                 -8.544
 CID2   Fr= 1--      -0.411                  1.246                 -0.224
 Raman3 Fr= 1--     352.702                103.260                 76.131
 ROA3   Fr= 1--    -486.010                536.393                 37.272
 CID3   Fr= 1--      -1.378                  5.195                  0.490
 RC180  Fr= 1--       0.609                  0.647                  0.137
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.07   0.01
     7   6    -0.00   0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.00   0.00
     8   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.15  -0.13   0.01
    12   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.30  -0.10   0.04
    13   1     0.00  -0.01   0.00    -0.00   0.02  -0.00    -0.06   0.32  -0.06
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.16   0.83  -0.16
    15   1     0.00  -0.03   0.04     0.00  -0.06   0.07    -0.00   0.00  -0.00
    16   6    -0.08   0.00  -0.04     0.02   0.08  -0.04    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.18  -0.05  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    21   1    -0.03  -0.23   0.26    -0.02  -0.50   0.61     0.00   0.00  -0.00
    22   1     0.60  -0.26   0.10     0.13  -0.03   0.01     0.00  -0.00   0.00
    23   1     0.38   0.48   0.14    -0.37  -0.43  -0.14     0.00   0.01   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3158.2020              3177.3846              3192.6550
 Red. masses --      1.0880                 1.0905                 1.0966
 Frc consts  --      6.3941                 6.4868                 6.5858
 IR Inten    --      2.6554                17.8085                20.1273
 RamAct Fr= 1--    124.7601                75.3769               266.4721
  Dep-P Fr= 1--      0.4196                 0.7498                 0.1143
  Dep-U Fr= 1--      0.5912                 0.8570                 0.2052
 Alpha2 Fr= 1--      0.8603                 0.0002                 4.5038
 Beta2  Fr= 1--     12.2924                10.7669                 9.1145
 AlphaG Fr= 1--      0.2288                -0.0024                 0.3351
 Gamma2 Fr= 1--      0.7830                 0.3927                 1.5194
 Delta2 Fr= 1--     -0.9972                -3.2258                 2.7511
 Raman1 Fr= 1--     499.040                301.507               1065.888
 ROA1   Fr= 1--      43.262                -65.524                233.897
 CID1   Fr= 1--       0.087                 -0.217                  0.219
 Raman2 Fr= 1--     147.508                129.203                109.374
 ROA2   Fr= 1--      26.770                 35.232                 14.457
 CID2   Fr= 1--       0.181                  0.273                  0.132
 Raman3 Fr= 1--     295.016                258.405                218.748
 ROA3   Fr= 1--      43.262                -65.524                233.897
 CID3   Fr= 1--       0.147                 -0.254                  1.069
 RC180  Fr= 1--       0.182                  0.714                 -0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.00     0.04   0.03  -0.00    -0.05  -0.04   0.00
     2   6     0.00  -0.00   0.00    -0.05   0.02  -0.01    -0.06   0.02  -0.01
     3   6     0.01  -0.07   0.01    -0.01   0.03  -0.01     0.01  -0.02   0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.01   0.03  -0.01    -0.00   0.02  -0.00    -0.00   0.02  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   1    -0.23  -0.20   0.02    -0.48  -0.41   0.04     0.51   0.44  -0.05
    12   1    -0.03   0.01  -0.00     0.61  -0.21   0.08     0.64  -0.22   0.09
    13   1    -0.15   0.83  -0.16     0.06  -0.30   0.06    -0.04   0.18  -0.04
    14   1     0.07  -0.37   0.07     0.04  -0.25   0.05     0.03  -0.17   0.03
    15   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    23   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   911.056091791.251472470.69734
           X            0.99949  -0.03176   0.00283
           Y            0.03173   0.99945   0.00976
           Z           -0.00314  -0.00967   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09507     0.04835     0.03506
 Rotational constants (GHZ):           1.98093     1.00753     0.73046
 Zero-point vibrational energy     518297.9 (Joules/Mol)
                                  123.87617 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    132.38   171.56   289.98   334.16   365.31
          (Kelvin)            464.60   514.00   554.85   634.34   678.14
                              755.33   797.15   894.76  1016.37  1057.94
                             1070.62  1109.84  1214.26  1262.88  1279.81
                             1346.04  1354.97  1387.28  1406.40  1473.36
                             1493.24  1530.15  1566.55  1627.99  1646.28
                             1664.84  1706.90  1751.34  1768.14  1804.90
                             1850.87  1884.89  1917.15  1940.05  1956.17
                             1989.61  2018.75  2044.76  2139.14  2143.85
                             2149.27  2164.45  2168.14  2203.18  2339.16
                             2376.39  4235.62  4278.79  4340.26  4363.91
                             4425.20  4440.04  4454.82  4476.21  4537.48
                             4543.95  4571.55  4593.52
 
 Zero-point correction=                           0.197409 (Hartree/Particle)
 Thermal correction to Energy=                    0.206472
 Thermal correction to Enthalpy=                  0.207416
 Thermal correction to Gibbs Free Energy=         0.163476
 Sum of electronic and zero-point Energies=           -463.529675
 Sum of electronic and thermal Energies=              -463.520613
 Sum of electronic and thermal Enthalpies=            -463.519668
 Sum of electronic and thermal Free Energies=         -463.563609
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.563             36.629             92.480
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.779
 Vibrational            127.786             30.667             21.813
 Vibration     1          0.602              1.955              3.617
 Vibration     2          0.609              1.933              3.113
 Vibration     3          0.638              1.838              2.119
 Vibration     4          0.653              1.792              1.861
 Vibration     5          0.665              1.756              1.703
 Vibration     6          0.708              1.630              1.295
 Vibration     7          0.732              1.560              1.134
 Vibration     8          0.754              1.501              1.017
 Vibration     9          0.801              1.381              0.824
 Vibration    10          0.828              1.314              0.734
 Vibration    11          0.880              1.195              0.599
 Vibration    12          0.909              1.131              0.536
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.640235D-75        -75.193660       -173.139801
 Total V=0       0.405704D+16         15.608209         35.939230
 Vib (Bot)       0.125747D-88        -88.900504       -204.700975
 Vib (Bot)    1  0.223392D+01          0.349067          0.803757
 Vib (Bot)    2  0.171415D+01          0.234050          0.538920
 Vib (Bot)    3  0.988725D+00         -0.004924         -0.011339
 Vib (Bot)    4  0.847206D+00         -0.072011         -0.165811
 Vib (Bot)    5  0.767262D+00         -0.115056         -0.264927
 Vib (Bot)    6  0.581121D+00         -0.235733         -0.542796
 Vib (Bot)    7  0.514003D+00         -0.289035         -0.665527
 Vib (Bot)    8  0.466986D+00         -0.330696         -0.761456
 Vib (Bot)    9  0.391819D+00         -0.406914         -0.936954
 Vib (Bot)   10  0.357463D+00         -0.446769         -1.028723
 Vib (Bot)   11  0.306059D+00         -0.514194         -1.183976
 Vib (Bot)   12  0.282145D+00         -0.549528         -1.265334
 Vib (V=0)       0.796830D+02          1.901366          4.378057
 Vib (V=0)    1  0.278919D+01          0.445478          1.025751
 Vib (V=0)    2  0.228559D+01          0.358998          0.826623
 Vib (V=0)    3  0.160796D+01          0.206275          0.474967
 Vib (V=0)    4  0.148375D+01          0.171360          0.394571
 Vib (V=0)    5  0.141580D+01          0.151002          0.347695
 Vib (V=0)    6  0.126662D+01          0.102645          0.236350
 Vib (V=0)    7  0.121708D+01          0.085318          0.196452
 Vib (V=0)    8  0.118416D+01          0.073411          0.169034
 Vib (V=0)    9  0.113523D+01          0.055085          0.126839
 Vib (V=0)   10  0.111464D+01          0.047134          0.108530
 Vib (V=0)   11  0.108624D+01          0.035924          0.082718
 Vib (V=0)   12  0.107411D+01          0.031050          0.071495
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.718797D+06          5.856606         13.485334
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 3322                                                 111111111111111111111111111                                         
   11111000 0099                                                 6655544444333332222111100009999 888 7777   6 5 5 44 33 3 222   1    
   97551987 3174                                                 5230099820864318521854386327643 974 7430   2 5 2 74 85 2 530   19   
   37841666 3744                                                 2617440713308206497674294847426 084 1456   2 4 5 11 67 3 422   92   
 
   XXXXXXXX XXXX                                                 XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX X X XXXX   X X X XX XX X XXX   XX   
   XX XXXXX XXXX                                                   XX X XXX     XXX   XXXX XX  X     XX X               X            
   XX XXXXX XXXX                                                   X    XX       XX   X XX XX  X     XX X                            
   XX XXXXX XXXX                                                   X                  X    XX  X     XX                              
   XX XXXXX XXXX                                                   X                  X    X   X     XX                              
   XX   XXX XXXX                                                                      X              XX                              
        XXX XXXX                                                                      X              XX                              
        XX  XXXX                                                                      X              XX                              
        XX  XXXX                                                                      X              XX                              
        X   XXXX                                                                      X                                              
        X    XXX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
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              X                                                                       X                                              
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000027    0.000005340    0.000001084
      2        6          -0.000006133   -0.000001630   -0.000002375
      3        6          -0.000000263    0.000000389   -0.000004202
      4        6           0.000009385   -0.000005473   -0.000005547
      5        6          -0.000005412   -0.000005575    0.000004900
      6        6           0.000002905    0.000002589    0.000003920
      7        6           0.000004272    0.000003956    0.000000704
      8        6          -0.000006133   -0.000005180   -0.000003942
      9        8           0.000003643    0.000016484    0.000017231
     10        6          -0.000005676   -0.000002001   -0.000018918
     11        1          -0.000000008   -0.000000250    0.000000693
     12        1           0.000000245    0.000000232    0.000001076
     13        1          -0.000003571    0.000000692    0.000005274
     14        1          -0.000001332    0.000000365   -0.000000670
     15        1           0.000001386   -0.000000610   -0.000001290
     16        6          -0.000001587   -0.000003767   -0.000001664
     17        1          -0.000001926    0.000000802   -0.000001056
     18        1           0.000000337    0.000000429    0.000002044
     19        1           0.000004594   -0.000002118    0.000004192
     20        1           0.000000562   -0.000004645   -0.000002538
     21        1           0.000002824   -0.000000752    0.000002106
     22        1          -0.000000115    0.000001729    0.000000254
     23        1           0.000002031   -0.000001006   -0.000001277
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018918 RMS     0.000004846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146032D+03 -0.224600D+01  0.268167D+01
      2  -0.224600D+01  0.127887D+03 -0.395239D+01
      3   0.268167D+01 -0.395239D+01  0.846554D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.209791D+01 -0.534849D+01 -0.114271D+02
      2   0.734029D+01 -0.121127D+02 -0.495630D+01
      3   0.546391D+01 -0.491916D+02  0.922843D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.140313D+03  0.138578D+02  0.280490D+01
      2  -0.713881D+02  0.594105D+01  0.942532D+01
      3  -0.689253D+02 -0.197988D+02 -0.122302D+02
      4   0.497285D+02  0.673419D+02 -0.275168D+02
      5   0.237382D+01 -0.287979D+02 -0.174295D+02
      6  -0.130362D+02  0.798727D+01  0.154295D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.208334D+01  0.183809D+01 -0.297990D+00  0.427517D+01 -0.905432D+00
      2   0.183809D+01  0.193453D+01 -0.562013D+00 -0.905432D+00  0.249803D+01
      3  -0.297990D+00 -0.562013D+00  0.184868D+01  0.946405D+00  0.841560D+00
                 6             7             8             9            10 
      1   0.946405D+00 -0.140216D+01  0.738962D+00  0.408836D+01  0.516722D+01
      2   0.841560D+00  0.738962D+00  0.708190D+00  0.285990D+01 -0.115614D+01
      3   0.127615D+01  0.408836D+01  0.285990D+01 -0.466966D+00 -0.378340D+00
                11            12            13            14            15 
      1  -0.115614D+01 -0.378340D+00 -0.204218D+01 -0.129846D+01  0.104191D+01
      2   0.248957D+01 -0.184242D+00 -0.129846D+01 -0.254900D+01 -0.677482D+00
      3  -0.184242D+00  0.195866D+01  0.104191D+01 -0.677482D+00 -0.462203D+00
                16            17            18            19            20 
      1   0.402873D-01  0.122276D+01  0.499528D+01  0.186201D+00 -0.477674D+01
      2   0.122276D+01  0.118577D+00 -0.134191D+01 -0.477674D+01  0.346492D-02
      3   0.499528D+01 -0.134191D+01  0.111879D+01  0.252975D+00 -0.140188D+00
                21            22            23            24            25 
      1   0.252975D+00  0.434323D+01 -0.112024D+01 -0.722731D-01 -0.612274D+00
      2  -0.140188D+00 -0.112024D+01  0.206195D+01  0.876520D+00 -0.893147D+00
      3  -0.423686D+00 -0.722731D-01  0.876520D+00  0.148809D+01  0.442375D-01
                26            27            28            29            30 
      1  -0.893147D+00  0.442375D-01 -0.116042D+02  0.555934D+01 -0.292049D+00
      2   0.118614D+01  0.347512D+01  0.555934D+01 -0.566820D+01  0.222291D+00
      3   0.347512D+01 -0.220589D+01 -0.292049D+00  0.222291D+00 -0.141917D+01
                31            32            33            34            35 
      1   0.952579D+01  0.152404D+01 -0.685540D+00 -0.191984D+01 -0.927164D+00
      2   0.152404D+01  0.237964D+01 -0.199101D+00 -0.927164D+00 -0.179738D+00
      3  -0.685540D+00 -0.199101D+00  0.387526D+00 -0.307359D+01  0.181680D+01
                36            37            38            39            40 
      1  -0.307359D+01 -0.139631D+01 -0.437179D+01  0.463714D+00 -0.127887D+02
      2   0.181680D+01 -0.437179D+01 -0.654208D+01  0.396371D+00 -0.255597D+01
      3  -0.887901D+00  0.463714D+00  0.396371D+00 -0.994537D+00 -0.437610D+00
                41            42            43            44            45 
      1  -0.255597D+01 -0.437610D+00  0.289044D+01 -0.180785D+00 -0.202182D+01
      2  -0.553938D+01 -0.241872D+00 -0.180785D+00 -0.513206D+00 -0.275886D+01
      3  -0.241872D+00 -0.797003D+00 -0.202182D+01 -0.275886D+01  0.559380D+00
                46            47            48            49            50 
      1  -0.297236D+01  0.360158D+01 -0.292096D+00 -0.382100D+01  0.450707D+00
      2   0.360158D+01  0.273341D+01  0.402758D+00  0.450707D+00 -0.138362D+01
      3  -0.292096D+00  0.402758D+00 -0.140542D+00  0.382522D-01 -0.760008D+00
                51            52            53            54            55 
      1   0.382522D-01  0.343975D+00  0.517704D+00  0.135989D+01  0.179626D+01
      2  -0.760008D+00  0.517704D+00 -0.132647D+01 -0.344633D+01 -0.738916D+00
      3  -0.148541D+01  0.135989D+01 -0.344633D+01  0.192091D+01 -0.297385D+00
                56            57            58            59            60 
      1  -0.738916D+00 -0.297385D+00 -0.254355D+01  0.431921D+01  0.127931D+01
      2   0.297034D+01  0.153986D+01  0.431921D+01 -0.170820D+01  0.184482D+01
      3   0.153986D+01  0.163588D+01  0.127931D+01  0.184482D+01 -0.380635D+01
                61            62            63            64            65 
      1  -0.205723D+01  0.197132D+01  0.339942D+01  0.654917D+01 -0.250619D+01
      2   0.197132D+01  0.738466D+00 -0.480357D+01 -0.250619D+01 -0.156340D+01
      3   0.339942D+01 -0.480357D+01  0.140707D+01 -0.453701D-01 -0.946399D+00
                66            67            68            69            70 
      1  -0.453701D-01 -0.367822D+01 -0.917494D+00 -0.976136D+00 -0.402999D+00
      2  -0.946399D+00 -0.917494D+00  0.252987D+00 -0.144018D+01 -0.379644D+00
      3  -0.193364D+01 -0.976136D+00 -0.144018D+01  0.158909D+01 -0.430430D-01
                71            72            73            74            75 
      1  -0.379644D+00 -0.430430D-01 -0.599928D+01 -0.667093D+00  0.976507D+00
      2  -0.950897D+00  0.336059D+01 -0.667093D+00  0.846881D+00  0.848049D+00
      3   0.336059D+01  0.593468D+01  0.976507D+00  0.848049D+00  0.713453D-01
                76            77            78            79            80 
      1   0.542608D+00 -0.165154D+01  0.506180D+00  0.133110D+01 -0.225485D-01
      2  -0.165154D+01 -0.306028D+01  0.123687D+01 -0.225485D-01  0.140083D+01
      3   0.506180D+00  0.123687D+01  0.473635D-01 -0.126333D+01 -0.191732D+01
                81            82            83            84            85 
      1  -0.126333D+01  0.272535D+01  0.576068D-01  0.263452D-01  0.165869D+01
      2  -0.191732D+01  0.576068D-01 -0.761980D+00 -0.289367D+00  0.376387D+01
      3   0.501447D+00  0.263452D-01 -0.289367D+00 -0.659054D+00  0.446077D+00
                86            87            88            89            90 
      1   0.376387D+01  0.446077D+00  0.480214D+00  0.103540D+01  0.121774D+01
      2   0.835778D+01  0.590609D+00  0.103540D+01  0.192848D+01  0.617996D+01
      3   0.590609D+00  0.345439D+01  0.121774D+01  0.617996D+01  0.637798D+00
                91            92            93            94            95 
      1   0.773668D+01  0.434347D+01 -0.372600D+00  0.436872D+01  0.405449D+01
      2   0.434347D+01  0.310934D+01 -0.203259D+00  0.405449D+01  0.435100D+01
      3  -0.372600D+00 -0.203259D+00  0.741097D+00 -0.551626D+00 -0.444810D+00
                96            97            98            99           100 
      1  -0.551626D+00 -0.298065D+00 -0.411709D+00  0.318418D-01  0.119556D+02
      2  -0.444810D+00 -0.411709D+00 -0.638552D+00  0.793810D-01 -0.287574D+01
      3   0.667372D+00  0.318418D-01  0.793810D-01 -0.117517D+00  0.121480D+01
               101           102           103           104           105 
      1  -0.287574D+01  0.121480D+01 -0.291090D+01  0.229402D+01 -0.588965D+00
      2   0.143672D+01 -0.287436D+00  0.229402D+01 -0.136655D+01  0.307981D+00
      3  -0.287436D+00  0.103724D+01 -0.588965D+00  0.307981D+00 -0.397184D+00
               106           107           108           109           110 
      1   0.154796D+01 -0.612337D+00  0.156865D+00 -0.500110D+00  0.129621D+01
      2  -0.612337D+00  0.417673D+00 -0.112080D+00  0.129621D+01 -0.942153D+00
      3   0.156865D+00 -0.112080D+00  0.190821D+00 -0.217908D+00  0.255432D+00
               111           112           113           114           115 
      1  -0.217908D+00  0.113719D+01 -0.507201D+00  0.332145D-01 -0.223681D+00
      2   0.255432D+00 -0.507201D+00  0.941402D+01 -0.168226D+01  0.256559D+00
      3  -0.116828D+00  0.332145D-01 -0.168226D+01  0.119279D+01  0.612920D-01
               116           117           118           119           120 
      1   0.256559D+00  0.612920D-01  0.105483D+01 -0.168566D+01  0.358265D+00
      2  -0.187190D+01  0.408104D+00 -0.168566D+01  0.165175D+01 -0.332423D+00
      3   0.408104D+00 -0.276076D+00  0.358265D+00 -0.332423D+00  0.321498D+00
               121           122           123           124           125 
      1  -0.167972D+01  0.237037D+01 -0.445834D+00  0.243554D+00 -0.510180D+00
      2   0.237037D+01 -0.973883D+01  0.166971D+01 -0.510180D+00  0.189232D+01
      3  -0.445834D+00  0.166971D+01 -0.118650D+01  0.198662D+00 -0.433196D+00
               126           127           128           129           130 
      1   0.198662D+00 -0.230344D+00  0.862478D+00 -0.109369D+01  0.225970D+01
      2  -0.433196D+00  0.862478D+00 -0.527322D+00  0.663532D-01 -0.191365D+01
      3   0.274910D+00 -0.109369D+01  0.663532D-01 -0.618177D+00  0.480614D+00
               131           132           133           134           135 
      1  -0.191365D+01  0.480614D+00 -0.177843D+01  0.828420D+00 -0.155125D+01
      2   0.428070D+01 -0.241316D+01  0.828420D+00 -0.278669D+01  0.317284D+01
      3  -0.241316D+01  0.282371D+01 -0.155125D+01  0.317284D+01 -0.508131D+01
               136           137           138           139           140 
      1   0.564781D+01 -0.468922D+01  0.185651D+00 -0.243745D+01 -0.194415D+01
      2  -0.468922D+01 -0.101461D+01 -0.205806D+01 -0.194415D+01 -0.944324D+00
      3   0.185651D+00 -0.205806D+01 -0.124951D+01 -0.223357D+01 -0.115910D+01
               141           142           143           144           145 
      1  -0.223357D+01  0.419993D+01 -0.373672D+01 -0.208293D+01 -0.467437D+00
      2  -0.115910D+01 -0.373672D+01  0.449273D+00  0.367911D+01 -0.726833D-01
      3   0.330801D+01 -0.208293D+01  0.367911D+01 -0.828600D+00 -0.932716D+00
               146           147           148           149           150 
      1  -0.726833D-01 -0.932716D+00 -0.164267D+00 -0.150286D+00 -0.339291D+00
      2   0.537561D+00  0.264722D+00 -0.150286D+00 -0.143775D+01 -0.158779D+01
      3   0.264722D+00  0.111912D+01 -0.339291D+00 -0.158779D+01 -0.223586D+01
               151           152           153           154           155 
      1  -0.150190D+01 -0.281781D+00 -0.158007D+01 -0.116780D+02  0.138569D+01
      2  -0.281781D+00 -0.170794D+01 -0.190566D+01  0.138569D+01 -0.124354D+01
      3  -0.158007D+01 -0.190566D+01 -0.857713D+01 -0.107521D+01  0.118502D+00
               156           157           158           159           160 
      1  -0.107521D+01  0.233006D+01 -0.145562D+01  0.361455D+00  0.349432D+00
      2   0.118502D+00 -0.145562D+01  0.874723D+00  0.157728D-01  0.561417D-01
      3  -0.115431D+01  0.361455D+00  0.157728D-01  0.971652D-01 -0.125018D+01
               161           162           163           164           165 
      1   0.561417D-01 -0.125018D+01 -0.676470D+00 -0.987962D+00 -0.920263D+00
      2   0.264413D+00 -0.537128D-01 -0.987962D+00  0.242788D+00 -0.725161D-01
      3  -0.537128D-01 -0.548893D+00 -0.920263D+00 -0.725161D-01 -0.245945D+00
               166           167           168           169           170 
      1  -0.158696D+01 -0.167117D+01 -0.438787D+00 -0.258635D+01 -0.129961D+01
      2  -0.167117D+01 -0.718665D+01 -0.270999D+01 -0.129961D+01 -0.556421D+01
      3  -0.438787D+00 -0.270999D+01 -0.210370D+01 -0.856173D+00 -0.427060D+01
               171           172           173           174           175 
      1  -0.856173D+00 -0.143849D-01 -0.477330D+00  0.843054D+00 -0.125496D+01
      2  -0.427060D+01 -0.477330D+00  0.652731D+00 -0.260959D+00 -0.131475D+01
      3  -0.404259D+01  0.843054D+00 -0.260959D+00  0.156987D+00  0.251058D+00
               176           177           178           179           180 
      1  -0.131475D+01  0.251058D+00  0.166623D+01  0.748300D+00 -0.613136D+00
      2  -0.612337D+01  0.265649D+01  0.748300D+00  0.426908D+01 -0.390967D+01
      3   0.265649D+01 -0.236082D+01 -0.613136D+00 -0.390967D+01  0.394485D+01
               181           182           183           184           185 
      1  -0.848099D+00  0.366267D-02  0.760797D+00 -0.932646D+00  0.167510D+00
      2   0.366267D-02  0.920944D-01  0.291271D+00  0.167510D+00 -0.162123D+01
      3   0.760797D+00  0.291271D+00 -0.625016D-01  0.880855D+00  0.996111D+00
               186           187           188           189           190 
      1   0.880855D+00  0.110010D+01  0.365201D+00 -0.981746D+00 -0.100456D+02
      2   0.996111D+00  0.365201D+00  0.147612D+01 -0.122239D+01  0.455062D+01
      3  -0.304550D+01 -0.981746D+00 -0.122239D+01  0.537779D+01  0.720059D+00
               191           192           193           194           195 
      1   0.455062D+01  0.720059D+00  0.357428D+01 -0.259597D+01 -0.346616D-01
      2  -0.311918D+01 -0.410939D+00 -0.259597D+01  0.275599D+01  0.358112D+00
      3  -0.410939D+00 -0.131442D+01 -0.346616D-01  0.358112D+00  0.282374D+00
               196           197           198           199           200 
      1  -0.146857D+01  0.853297D+00 -0.839869D+00  0.153007D+01  0.150674D+01
      2   0.853297D+00 -0.708203D+00  0.151590D+00  0.150674D+01  0.268130D+01
      3  -0.839869D+00  0.151590D+00 -0.193857D+00  0.413451D+00  0.134219D+01
               201           202           203           204           205 
      1   0.413451D+00  0.182509D+01  0.105773D+01  0.538961D+00  0.582600D-01
      2   0.134219D+01  0.105773D+01  0.543236D+01  0.192120D+01  0.661561D+00
      3   0.144181D+01  0.538961D+00  0.192120D+01  0.126649D+01  0.603538D+00
               206           207 
      1   0.661561D+00  0.603538D+00
      2   0.139825D+01  0.991899D+00
      3   0.991899D+00  0.135829D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.628685D+00 -0.703349D+00 -0.247924D+01 -0.171075D+01  0.861713D+00
      2  -0.128832D+01 -0.657659D+00  0.458669D+01  0.255291D+01  0.210069D+01
      3  -0.487933D+01 -0.122757D+02  0.137590D+01  0.731072D+01 -0.306869D+00
                 6             7             8             9            10 
      1  -0.367592D+00 -0.787317D+01  0.596824D+01 -0.220694D+01 -0.484657D+00
      2   0.417664D+01  0.159751D+01  0.109685D+02 -0.194515D+01  0.714901D+00
      3  -0.170960D+01 -0.155083D+01 -0.316188D+01 -0.426324D+01  0.405918D+01
                11            12            13            14            15 
      1  -0.356209D+00  0.120286D+01 -0.240292D+00  0.206711D+01  0.753851D+00
      2  -0.227070D+00  0.583713D+01  0.367577D+01 -0.878276D+00 -0.192744D+01
      3  -0.988739D+01  0.629523D+00  0.106239D+02 -0.354485D+00  0.233523D+01
                16            17            18            19            20 
      1   0.485112D+01  0.106659D+02 -0.132299D+01  0.495579D+00  0.905618D+00
      2   0.831843D+01 -0.617877D+01  0.302755D+01  0.294185D+01 -0.330324D+01
      3  -0.286701D+01  0.188807D+01  0.198783D+01  0.545187D+01 -0.643396D+01
                21            22            23            24            25 
      1   0.173530D+01  0.133788D+00 -0.513391D+00 -0.265199D+01  0.252499D+01
      2  -0.729436D+00 -0.173911D+01 -0.307091D+00  0.295354D+01 -0.138354D+02
      3   0.237447D+01  0.427027D+01 -0.867049D+01 -0.292481D+00  0.272118D+01
                26            27            28            29            30 
      1   0.335174D+00  0.138522D+01 -0.633640D+00 -0.395593D+00  0.103862D+01
      2   0.508952D+01 -0.388916D+01 -0.133810D+01  0.239653D+01 -0.240993D+01
      3  -0.215709D+01 -0.739414D+01 -0.645828D+00  0.110676D+02 -0.106794D+01
                31            32            33            34            35 
      1  -0.735276D+00  0.202288D+01 -0.419943D+00  0.255156D+01  0.918040D+01
      2   0.209391D+01 -0.987650D+00  0.559434D-01 -0.144972D+02  0.127657D+01
      3   0.125337D+02 -0.109127D+02 -0.187804D+01  0.135022D+01  0.306443D+01
                36            37            38            39            40 
      1  -0.949360D+00  0.136618D+01 -0.540880D+00 -0.255872D+00 -0.153852D+01
      2  -0.936762D+00  0.100970D+01  0.743078D+00 -0.145350D+01 -0.276556D+01
      3  -0.233866D+01 -0.655915D+01  0.677864D+01 -0.262607D+01  0.116187D+02
                41            42            43            44            45 
      1   0.866478D-01 -0.737138D+00 -0.376176D+01  0.791358D+01 -0.617120D+00
      2   0.321381D+01 -0.730743D+00 -0.135806D+02 -0.628091D+00 -0.879258D+00
      3   0.169830D+02  0.109883D+01 -0.142979D+00 -0.252269D+01  0.382612D+01
                46            47            48            49            50 
      1  -0.123925D-01  0.628969D+00 -0.847242D+00  0.133257D+01 -0.490524D+00
      2  -0.978801D+00 -0.174364D+01  0.192065D+00 -0.236221D+01 -0.191144D+01
      3  -0.862291D+00 -0.129803D+02  0.171244D+01 -0.110094D-01  0.560200D+01
                51            52            53            54            55 
      1  -0.210558D+01  0.204318D+01  0.837843D+00  0.143882D+00  0.601075D+00
      2  -0.397862D+01 -0.105406D+02 -0.919153D+01  0.327869D+01 -0.616307D+00
      3   0.830585D+00  0.157699D+01  0.147860D+01  0.703538D+01  0.293530D+01
                56            57            58            59            60 
      1  -0.299230D+01 -0.257250D+01 -0.178180D+01 -0.369974D+01  0.917288D+00
      2  -0.120251D+01  0.130382D+01 -0.317610D+01  0.265687D+00  0.636188D+01
      3  -0.155238D+01  0.171217D+01  0.122166D+02  0.608938D+01  0.638185D+01
                61            62            63            64            65 
      1  -0.681435D+01  0.926404D+01  0.752491D-01  0.281431D+01  0.171405D+01
      2  -0.113670D+02  0.936342D+01 -0.846057D-01  0.818664D+01 -0.181209D+01
      3   0.102357D+00  0.659080D+01 -0.473522D+01 -0.106585D+02 -0.719202D+01
                66            67            68            69            70 
      1   0.149146D+01 -0.406727D+00  0.237131D+01  0.152473D+01  0.227624D+01
      2   0.598407D+01 -0.228274D+01  0.192559D+01 -0.602070D+01 -0.235009D+01
      3  -0.313196D+01 -0.509575D+01  0.270506D+01 -0.505953D+01  0.837464D+00
                71            72            73            74            75 
      1   0.190560D+01 -0.229908D+01  0.564937D+00  0.790521D+00  0.355240D+00
      2  -0.100323D+02 -0.153183D+02  0.145470D+01 -0.120872D+01  0.590830D+01
      3  -0.334103D+01  0.742528D+01  0.135862D+02 -0.639581D+01  0.100945D+01
                76            77            78            79            80 
      1  -0.861500D+00  0.203073D+01 -0.738831D+01 -0.438207D+01  0.162858D+01
      2   0.488626D-02 -0.404176D+01 -0.230447D+00 -0.305889D+01  0.528651D+01
      3   0.314262D+01 -0.606375D+01  0.523111D+01 -0.259085D+01  0.746364D+01
                81            82            83            84            85 
      1   0.398787D+01 -0.654580D-01  0.412640D+00 -0.369283D+01  0.134956D+01
      2  -0.195277D+01 -0.236458D+01  0.595272D+00 -0.169595D+01  0.609317D+00
      3  -0.235202D+01 -0.560878D+01 -0.861582D-01 -0.949693D+00  0.786320D+01
                86            87            88            89            90 
      1   0.173843D+01  0.883033D+01  0.625340D+01  0.210382D+02  0.139332D+01
      2  -0.301307D+00 -0.432627D+00 -0.562503D+01 -0.468151D+01 -0.590751D-01
      3  -0.527593D+01 -0.884436D+00 -0.245656D+01 -0.273886D+01  0.311794D+01
                91            92            93            94            95 
      1  -0.210250D+00 -0.425781D+00 -0.231812D+01  0.307418D+00 -0.102719D+00
      2   0.400481D+00  0.296668D+00  0.412926D+01 -0.947692D+00 -0.767340D+00
      3  -0.253801D+01 -0.610528D+01  0.608117D-01 -0.513152D+01 -0.911254D+01
                96            97            98            99           100 
      1  -0.235700D+01  0.117630D+01  0.102880D+01  0.157290D+00  0.225136D+00
      2   0.336412D+01 -0.159664D+01 -0.933839D+00 -0.205325D+00  0.184863D+01
      3   0.637220D+00  0.816663D+00  0.132840D+01 -0.626831D-01  0.254510D+01
               101           102           103           104           105 
      1   0.409764D+00  0.143035D+01 -0.725671D-01 -0.129654D+00 -0.810551D+00
      2  -0.441359D+00  0.613188D+01 -0.164599D+01  0.814355D+00 -0.217154D+01
      3  -0.589094D+01  0.275461D+00 -0.492452D+01  0.378295D+01 -0.686761D+00
               106           107           108           109           110 
      1  -0.750425D+00  0.472742D+00  0.204574D+00 -0.300059D+00  0.128815D+00
      2  -0.221504D+01  0.537121D+00  0.606123D+00 -0.727733D+00  0.683499D+00
      3   0.110429D+01 -0.121039D+01  0.223976D+00 -0.441321D+01  0.368933D+01
               111           112           113           114           115 
      1   0.699320D+00  0.384686D+00 -0.902926D+00 -0.457588D+01 -0.284963D+00
      2  -0.103257D+00  0.997774D+00 -0.241645D+01  0.111225D+01 -0.126337D+01
      3  -0.616876D+00  0.612789D+01 -0.148373D+02  0.264998D+01 -0.130173D+01
               116           117           118           119           120 
      1   0.209712D+01  0.588238D+00  0.329678D-01 -0.178412D+00  0.974896D+00
      2   0.378591D+00 -0.966987D-01  0.450883D+00 -0.226869D+00  0.788221D+00
      3   0.315700D+01 -0.131499D+00  0.175832D+01 -0.656486D+00  0.147154D+00
               121           122           123           124           125 
      1  -0.263602D+00 -0.267488D+00 -0.462056D+01 -0.891431D-01  0.182582D+01
      2  -0.433988D-01  0.312433D+01 -0.276292D+01 -0.106807D+01 -0.154243D-01
      3   0.134393D+01  0.164117D+02 -0.276311D+01 -0.220039D+00 -0.332592D+01
               126           127           128           129           130 
      1   0.667511D+00  0.885124D+00  0.405441D+00  0.837525D+00 -0.177197D+00
      2   0.424613D+00  0.149556D+01  0.106378D+00  0.102897D+01  0.952260D+00
      3  -0.239934D-01  0.221072D+01 -0.190635D+01 -0.136583D+01  0.171095D+01
               131           132           133           134           135 
      1  -0.493187D-01 -0.382289D+01  0.201736D+01 -0.155633D+00  0.491932D+01
      2   0.252445D+01 -0.414410D+01 -0.679376D+00 -0.413208D+01  0.648824D+01
      3   0.502903D+01 -0.384641D+01 -0.208993D+01 -0.487168D+01  0.425677D+01
               136           137           138           139           140 
      1  -0.594883D+01  0.212932D+01  0.544620D+00  0.514409D+01 -0.608576D+00
      2  -0.663692D+01  0.104704D+02  0.540988D+01  0.968346D+01  0.295757D+01
      3   0.173141D+01 -0.159840D+02 -0.430648D+01 -0.933120D+01 -0.725192D+01
               141           142           143           144           145 
      1  -0.124688D+02  0.839050D+00 -0.761911D+01  0.515240D+01  0.733453D-01
      2  -0.434702D+01  0.241771D+01 -0.528185D+01  0.282762D+01  0.247543D+01
      3  -0.826609D+01 -0.216680D+01 -0.908917D+01  0.437243D+01  0.572444D+00
               146           147           148           149           150 
      1  -0.160490D+01  0.150795D+00 -0.272760D+00  0.246863D+01  0.250407D+00
      2  -0.346420D+00 -0.283150D+01 -0.605079D+00  0.354695D+01  0.471938D+01
      3   0.173557D+01  0.472679D+00  0.268729D+01 -0.374900D+01 -0.344665D+01
               151           152           153           154           155 
      1  -0.231823D-01  0.502862D+01  0.534442D+00 -0.108995D+01  0.143129D+01
      2  -0.138200D+01  0.423656D+01  0.191167D+02 -0.751621D+01  0.824871D+00
      3   0.492493D+00 -0.487858D+01 -0.310831D+01  0.441988D+01 -0.720689D+01
               156           157           158           159           160 
      1   0.206238D+00  0.120965D+01 -0.109019D+01 -0.870413D+00 -0.364951D+00
      2   0.506228D+01  0.122991D+01 -0.111112D+01 -0.484702D+00  0.249179D+01
      3   0.513567D+00 -0.296695D+01  0.337020D+01  0.511234D+00  0.568275D+00
               161           162           163           164           165 
      1   0.420577D+00  0.408047D+00 -0.258207D+01  0.131912D+00 -0.480281D+00
      2   0.363379D+00  0.241296D+00 -0.356961D+00 -0.364269D+00  0.133490D+01
      3   0.137248D+01 -0.167587D+00  0.195221D+01  0.134854D+01  0.288139D+01
               166           167           168           169           170 
      1  -0.155910D+01 -0.533242D+01 -0.710087D+01 -0.258151D+01 -0.873592D+01
      2  -0.266394D+00  0.114803D+01  0.123277D+01 -0.444270D+00  0.226838D+01
      3   0.360911D+01 -0.248242D+01 -0.125856D+01  0.736491D+01 -0.725430D+00
               171           172           173           174           175 
      1  -0.105458D+02  0.176946D+01 -0.210507D+00  0.514769D+00  0.974714D+00
      2   0.171651D+01 -0.464691D-01  0.355141D+00  0.416729D+00  0.644040D+00
      3  -0.192665D+01 -0.580494D+00 -0.103111D+01 -0.223171D+01  0.286118D+01
               176           177           178           179           180 
      1   0.461442D+01 -0.674947D+01 -0.185398D+01 -0.718837D+01  0.956889D+01
      2  -0.217836D+01  0.177162D+01 -0.140445D+01  0.255523D+01 -0.275804D+01
      3  -0.228075D+01  0.225959D+01 -0.472194D+01  0.272371D+01 -0.287383D+01
               181           182           183           184           185 
      1  -0.146031D+01 -0.232802D+00  0.680293D+00 -0.124803D+01 -0.650055D+01
      2  -0.715096D+00 -0.444247D+00  0.818572D-01  0.206331D+00 -0.227170D+01
      3  -0.133611D+01 -0.291547D+00  0.173146D+01 -0.206780D+00 -0.415013D+01
               186           187           188           189           190 
      1   0.618478D+01  0.197642D+01  0.688697D+01 -0.116527D+02  0.198112D+01
      2   0.544065D+01 -0.171319D+01  0.259356D+01 -0.955309D+01  0.696435D+01
      3   0.360411D+01  0.246058D+01  0.426248D+01 -0.462102D+01 -0.118711D+02
               191           192           193           194           195 
      1  -0.204551D+01  0.356825D+01 -0.187409D+01  0.160509D+01 -0.123412D+01
      2  -0.266814D+01  0.519473D+01 -0.303410D+01  0.100266D+01 -0.151119D+01
      3  -0.510856D+00  0.238812D+00  0.347547D+01  0.155287D+01  0.766047D+00
               196           197           198           199           200 
      1   0.183380D+01  0.395845D+00  0.556944D+00  0.134970D+01  0.597903D+00
      2   0.114881D+01 -0.313197D+00  0.128560D+01 -0.401604D+01 -0.380034D+01
      3  -0.823193D+00  0.307223D+00 -0.173605D+01  0.985359D+01  0.782259D+01
               201           202           203           204           205 
      1  -0.278443D+01  0.564118D+00  0.179526D+01 -0.250902D+01 -0.687305D+00
      2  -0.183850D+01 -0.378219D+01 -0.545165D+01 -0.244673D+01 -0.238316D+01
      3   0.313533D+01  0.930235D+01  0.127982D+02  0.512621D+01  0.153645D+01
               206           207 
      1   0.749968D+00 -0.212333D+01
      2  -0.240488D+01 -0.267510D+01
      3   0.438591D+01  0.348917D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.928889D+00 -0.169629D+02  0.280303D+01  0.299141D+02 -0.277215D-01
      2  -0.256493D+01  0.123504D+02  0.401592D+00 -0.270832D+02 -0.372859D+01
      3   0.349382D+01  0.461258D+01 -0.320462D+01 -0.283093D+01  0.375631D+01
      4  -0.178215D+02  0.157498D+02 -0.414556D+01 -0.833822D+00 -0.175811D+02
      5  -0.157100D+01 -0.255497D+01  0.973457D+01  0.718768D+01  0.588612D+01
      6  -0.223553D+01 -0.214289D+01  0.599780D+01  0.637143D+01  0.266660D+01
                 6             7             8             9            10 
      1   0.219502D+01 -0.895510D+01 -0.159215D+01  0.109363D+02 -0.399763D+01
      2  -0.269446D+01  0.100861D+02  0.352263D+01 -0.138524D+02  0.252992D+01
      3   0.499436D+00 -0.113098D+01 -0.193048D+01  0.291610D+01  0.146771D+01
      4   0.887261D+01  0.245441D+01  0.928149D+01  0.146664D+02  0.909114D+01
      5   0.893974D+01  0.289329D+02  0.165820D+02 -0.505938D+01 -0.573891D+01
      6   0.151737D+01  0.918148D+01  0.975675D+01  0.293820D+01 -0.750158D+00
                11            12            13            14            15 
      1   0.538790D+01 -0.549683D+01 -0.211924D+02 -0.199047D+02  0.574597D+01
      2  -0.285918D+01  0.242567D+01  0.183982D+02  0.183814D+02 -0.639598D+01
      3  -0.252872D+01  0.307116D+01  0.279420D+01  0.152336D+01  0.650003D+00
      4   0.226476D+02 -0.497039D+00 -0.181983D+02  0.157251D+02 -0.730202D+01
      5   0.547298D+00  0.127511D+02  0.970003D+01 -0.381298D+01 -0.433564D+01
      6   0.190550D+00 -0.301315D+01 -0.537936D+01 -0.202343D+01 -0.151474D+01
                16            17            18            19            20 
      1  -0.293439D+01  0.785746D+01  0.167982D+02  0.111031D+02 -0.209707D+01
      2  -0.223110D+01 -0.515282D+01 -0.196949D+02 -0.841237D+01 -0.205373D+01
      3   0.516550D+01 -0.270464D+01  0.289675D+01 -0.269070D+01  0.415081D+01
      4   0.118991D+02 -0.491116D+01 -0.538640D+01  0.758882D+01 -0.257378D+02
      5   0.360145D+02 -0.855435D+01  0.621905D+01  0.263988D+01  0.214678D+01
      6  -0.392262D+01  0.476926D+01  0.195272D+01  0.225466D+01 -0.408723D+00
                21            22            23            24            25 
      1   0.868328D+00  0.879636D+01  0.929555D+01 -0.488097D+01  0.146753D+01
      2  -0.108727D+01 -0.141011D+01 -0.151620D+02  0.672702D+01 -0.217078D+01
      3   0.218938D+00 -0.738625D+01  0.586642D+01 -0.184605D+01  0.703252D+00
      4   0.380074D+01  0.170860D+02  0.892367D+01  0.833022D+00 -0.144616D+01
      5  -0.338703D+01 -0.106742D+01  0.374026D+00  0.415822D+01  0.244961D+01
      6  -0.289623D+01 -0.160025D+01  0.102033D+02  0.458106D+01  0.988442D+00
                26            27            28            29            30 
      1  -0.435758D+01 -0.140320D+02 -0.331492D+02  0.133744D+02 -0.155741D+01
      2   0.104452D+02  0.167708D+01  0.194571D+02 -0.709979D+01 -0.127669D+00
      3  -0.608766D+01  0.123550D+02  0.136921D+02 -0.627457D+01  0.168508D+01
      4  -0.203871D+01  0.115078D+02 -0.110994D+02  0.928922D+01 -0.404351D+00
      5   0.105821D+02 -0.791900D+01 -0.308287D+01  0.119265D+01 -0.253267D+01
      6   0.153206D+02 -0.581681D+01  0.208557D+01 -0.143353D+00 -0.171276D+01
                31            32            33            34            35 
      1   0.122491D+02 -0.197862D+01  0.475271D+00 -0.675653D+01  0.217811D+01
      2  -0.386587D+01  0.512291D+01 -0.282483D+01 -0.729683D+00 -0.163510D+01
      3  -0.838321D+01 -0.314429D+01  0.234956D+01  0.748621D+01 -0.543013D+00
      4  -0.442127D+01  0.731788D+01 -0.148565D+01  0.404372D+01 -0.278871D+01
      5   0.170814D+01 -0.109063D+01 -0.633908D+00  0.111644D+01  0.215312D+00
      6  -0.652849D+01 -0.244289D+01  0.187432D+01 -0.139951D+01  0.677878D+01
                36            37            38            39            40 
      1  -0.120936D+02 -0.177716D+02 -0.276309D+02  0.245259D+01 -0.167214D+02
      2  -0.590730D+00  0.152984D+02  0.214391D+02  0.351769D+00  0.549423D+01
      3   0.126843D+02  0.247318D+01  0.619174D+01 -0.280436D+01  0.112271D+02
      4  -0.260890D+01 -0.488536D+01  0.139132D+01 -0.988817D+00  0.579000D+00
      5  -0.118747D+01  0.243632D+01  0.100144D+01 -0.111594D+01  0.510634D+00
      6   0.165740D+01 -0.275552D+01 -0.337196D+00  0.471030D+00  0.812873D+01
                41            42            43            44            45 
      1  -0.109127D+02 -0.343512D+00  0.204511D+01 -0.198709D+01 -0.141630D+02
      2   0.115626D+02 -0.759018D+00  0.237572D+01  0.197642D+01  0.316040D+01
      3  -0.649968D+00  0.110253D+01 -0.442083D+01  0.106652D-01  0.110026D+02
      4  -0.739894D+01  0.280810D+01  0.519452D+00  0.263021D+01 -0.141029D+01
      5   0.313712D+01 -0.192820D+00  0.176358D+01 -0.259209D+01 -0.261877D+00
      6   0.485854D-01  0.151468D+01 -0.295860D+00  0.955374D+01  0.127481D+01
                46            47            48            49            50 
      1   0.120732D+02  0.195659D+02 -0.491501D+00 -0.196945D+02  0.136888D+02
      2  -0.131038D+02 -0.140856D+02  0.400883D+00  0.154018D+02 -0.195432D+02
      3   0.103060D+01 -0.548035D+01  0.906183D-01  0.429271D+01  0.585437D+01
      4   0.604461D+01 -0.193159D+02  0.500096D+01  0.118845D+02 -0.326439D+01
      5  -0.311471D+01  0.278182D+01 -0.208454D+01 -0.654595D+00 -0.393772D+01
      6   0.509400D+01 -0.141177D+01  0.824635D+00 -0.227980D+01  0.969399D+01
                51            52            53            54            55 
      1  -0.415791D+01  0.301290D+01 -0.222530D+01 -0.667471D+01  0.198695D+02
      2   0.609569D+01 -0.437225D+01  0.901577D+01 -0.262858D+01 -0.100429D+02
      3  -0.193778D+01  0.135935D+01 -0.679046D+01  0.930328D+01 -0.982656D+01
      4  -0.370046D+01  0.124467D+01 -0.793577D+01 -0.154923D+02 -0.308480D+01
      5  -0.732968D+01  0.783496D+01 -0.156983D+02  0.649052D+01  0.205321D+01
      6   0.405524D+01 -0.531729D+01  0.141412D+02 -0.264249D+01 -0.310256D+01
                56            57            58            59            60 
      1  -0.132515D+02 -0.396151D+01 -0.177454D+02  0.393873D+01 -0.841808D+01
      2   0.101371D+02  0.393425D+01  0.117965D+02  0.122393D+01  0.613664D+01
      3   0.311443D+01  0.272588D-01  0.594886D+01 -0.516266D+01  0.228144D+01
      4  -0.661096D+01 -0.422117D+01 -0.134493D+02  0.739574D+01 -0.467550D+01
      5  -0.602259D+01 -0.566306D+01 -0.740835D+01 -0.620225D+01  0.130885D+02
      6   0.385726D+01  0.376723D+01  0.699319D+00  0.730771D+01 -0.155590D+02
                61            62            63            64            65 
      1  -0.111464D+01 -0.728044D+01  0.107814D+02 -0.452387D+02  0.136024D+02
      2   0.443336D+01  0.132916D+01 -0.949325D+01  0.231625D+02 -0.909044D+01
      3  -0.331872D+01  0.595128D+01 -0.128816D+01  0.220762D+02 -0.451191D+01
      4  -0.109446D+02  0.182008D+01  0.189186D+02  0.150967D+02  0.319762D+01
      5  -0.144178D+02  0.177774D+02 -0.243688D+01 -0.689176D+01  0.600068D+01
      6   0.151151D+02 -0.212312D+02  0.943475D+01  0.257270D+01  0.114737D+01
                66            67            68            69            70 
      1  -0.427686D+01  0.179668D+02  0.790064D+01  0.786189D+01  0.157842D+01
      2  -0.163137D+01 -0.109335D+02 -0.111086D+02  0.601611D-01  0.959593D+00
      3   0.590822D+01 -0.703338D+01  0.320796D+01 -0.792205D+01 -0.253801D+01
      4   0.399853D+01 -0.118461D+01  0.177221D+00  0.631044D+01  0.561464D+01
      5   0.624256D+01  0.963747D+01  0.780572D+01 -0.462559D+01 -0.157094D+01
      6   0.811169D+00  0.223953D+01 -0.687087D+00 -0.406112D+01 -0.254276D+01
                71            72            73            74            75 
      1   0.308957D+01  0.139577D+02  0.301000D+02  0.835805D+01  0.983333D-01
      2   0.856943D+01  0.132011D+02 -0.168182D+02 -0.571457D+01 -0.103683D+01
      3  -0.116590D+02 -0.271588D+02 -0.132818D+02 -0.264348D+01  0.938493D+00
      4   0.804219D+00 -0.128913D+02  0.132781D+02  0.118636D+02 -0.471649D+01
      5  -0.125925D+02 -0.234339D+02 -0.505625D+01 -0.303252D+01  0.976361D+01
      6  -0.190218D+01 -0.105543D+02 -0.903437D+00 -0.603305D+01 -0.345071D+01
                76            77            78            79            80 
      1  -0.692490D+01 -0.631115D+01  0.794557D+00 -0.678410D+01 -0.391745D+00
      2   0.842414D+01  0.148186D+02  0.114003D+01  0.490956D+01 -0.383046D+01
      3  -0.149924D+01 -0.850743D+01 -0.193458D+01  0.187454D+01  0.422221D+01
      4   0.125144D+02  0.105547D+02 -0.632546D+01 -0.619101D+01 -0.625461D+01
      5  -0.417303D+01 -0.593932D+01 -0.220173D+01  0.105110D+02  0.731078D+01
      6  -0.506194D+00 -0.226983D+01  0.101412D+02  0.380884D+01  0.947130D+01
                81            82            83            84            85 
      1  -0.600536D+01 -0.119259D+02 -0.372025D+01 -0.596339D+00  0.199470D+02
      2  -0.392472D+01  0.910036D+01  0.616353D+01  0.180374D+01 -0.176024D+02
      3   0.993008D+01  0.282551D+01 -0.244328D+01 -0.120740D+01 -0.234454D+01
      4   0.894589D+01  0.649845D+00 -0.231944D+01  0.181198D+01 -0.107908D+01
      5  -0.406192D+01 -0.130944D+01  0.894145D+00 -0.632526D+01 -0.213130D+01
      6  -0.275854D+01 -0.719112D+00  0.107282D+01  0.825283D+01 -0.329942D+01
                86            87            88            89            90 
      1   0.382385D+02  0.127354D+01  0.529939D+01  0.570680D+01  0.288089D+02
      2  -0.360796D+02 -0.189494D+01 -0.557795D+01 -0.826243D+01 -0.276019D+02
      3  -0.215896D+01  0.621400D+00  0.278560D+00  0.255564D+01 -0.120696D+01
      4  -0.558794D+01 -0.229935D+01 -0.276240D+01 -0.395130D+01 -0.752480D+01
      5  -0.309814D+01 -0.372495D+01 -0.288590D+01 -0.922196D+01 -0.143157D+01
      6  -0.377108D+01 -0.250496D+02 -0.736941D+01 -0.404505D+02 -0.335440D+01
                91            92            93            94            95 
      1   0.475171D+02  0.231065D+02 -0.225796D+01  0.197526D+02  0.138763D+02
      2  -0.188010D+02 -0.595978D+01  0.119747D+01 -0.156274D+01  0.352232D+01
      3  -0.287161D+02 -0.171467D+02  0.106049D+01 -0.181899D+02 -0.173987D+02
      4   0.441820D+02  0.313551D+02 -0.207438D+01  0.368751D+02  0.361703D+02
      5  -0.515192D+01 -0.250902D+01  0.777364D+01 -0.512918D+01 -0.428708D+01
      6  -0.796983D+00 -0.634299D+00  0.323006D+01 -0.218534D+01 -0.188606D+01
                96            97            98            99           100 
      1  -0.186338D+01 -0.743981D+00 -0.661843D+00  0.444141D+00  0.914547D+02
      2   0.934273D+00 -0.588763D+00 -0.755163D+00  0.322236D+00 -0.504045D+02
      3   0.929109D+00  0.133274D+01  0.141701D+01 -0.766377D+00 -0.410502D+02
      4  -0.350350D+01 -0.379905D+01 -0.371839D+01  0.254642D+01 -0.308748D+02
      5   0.556051D+01  0.203379D+01  0.137071D+01 -0.754486D+00  0.115894D+02
      6   0.428589D+01  0.115571D+01  0.186226D+01 -0.934701D+00 -0.419036D+00
               101           102           103           104           105 
      1  -0.204877D+02  0.806291D+01 -0.190462D+02  0.132247D+02 -0.294907D+01
      2   0.100130D+02 -0.540046D+01  0.814109D+01 -0.526119D+01  0.199807D+01
      3   0.104747D+02 -0.266245D+01  0.109051D+02 -0.796355D+01  0.951005D+00
      4   0.157316D+02 -0.275444D+01  0.220751D+02 -0.122793D+02  0.259948D+01
      5  -0.255585D+01  0.111627D+02 -0.497931D+01  0.269232D+01 -0.353024D+01
      6   0.627624D+00 -0.180316D+01  0.145057D+01 -0.632480D+00  0.222068D+01
               106           107           108           109           110 
      1   0.101436D+02 -0.321158D+01  0.286545D+01 -0.405095D+01  0.643484D+01
      2  -0.552728D+01  0.150255D+01 -0.181722D+01  0.539459D+01 -0.591579D+01
      3  -0.461630D+01  0.170903D+01 -0.104823D+01 -0.134364D+01 -0.519045D+00
      4  -0.597241D+01  0.297350D+01 -0.220802D+01  0.944857D+00  0.653108D+01
      5   0.357897D+01 -0.111858D+01  0.215416D+01 -0.357076D+00 -0.674544D+00
      6  -0.782608D+00  0.118867D+01 -0.752420D+00 -0.149873D+01  0.187914D+01
               111           112           113           114           115 
      1  -0.167363D+01  0.369071D+01 -0.360998D+02  0.696871D+01 -0.111915D+01
      2   0.112434D+01 -0.305380D+01  0.501784D+02 -0.698737D+01  0.120318D+01
      3   0.549292D+00 -0.636913D+00 -0.140785D+02  0.186557D-01 -0.840224D-01
      4  -0.814009D+00  0.562921D+01  0.182831D+02 -0.379418D+01 -0.926658D+00
      5   0.115936D+01 -0.860101D+00 -0.445147D+01  0.246783D+01  0.747215D+00
      6  -0.977389D+00  0.224457D+00 -0.131304D+02  0.917333D+01 -0.197518D+00
               116           117           118           119           120 
      1   0.720328D+01 -0.299888D+01  0.135628D+01 -0.319485D+01  0.610478D+00
      2  -0.886395D+01  0.321740D+01  0.328849D+01 -0.248418D+01  0.537125D-01
      3   0.166067D+01 -0.218515D+00 -0.464477D+01  0.567903D+01 -0.664190D+00
      4  -0.302649D+01 -0.253411D+00 -0.106500D+02  0.150505D+02 -0.273829D+01
      5   0.378961D+00 -0.188689D+00  0.188274D+01 -0.248191D+01  0.274406D+01
      6   0.482998D+01 -0.299507D+01 -0.175313D+01  0.181565D+01 -0.177352D+01
               121           122           123           124           125 
      1   0.930526D+00 -0.238595D+02  0.415808D+01  0.188352D+00  0.419582D+01
      2  -0.762065D+01  0.431475D+02 -0.509978D+01  0.931512D+00 -0.697368D+01
      3   0.669013D+01 -0.192880D+02  0.941701D+00 -0.111986D+01  0.277786D+01
      4   0.168143D+02 -0.414013D+02  0.707859D+01 -0.347234D+01  0.844648D+01
      5  -0.265951D+01  0.638117D+01 -0.507483D+01  0.129263D+01 -0.163860D+01
      6   0.270093D+01 -0.107009D+02  0.873889D+01 -0.126141D+01  0.495949D+01
               126           127           128           129           130 
      1  -0.275595D+01  0.352096D+00 -0.118996D+01  0.272687D+01  0.376451D+01
      2   0.321161D+01 -0.274753D+00  0.208579D+00 -0.195587D+01 -0.385350D+01
      3  -0.455659D+00 -0.773432D-01  0.981386D+00 -0.771002D+00  0.889945D-01
      4  -0.195362D+01 -0.377013D+01  0.647074D+01 -0.337249D+01  0.999104D+01
      5   0.131837D+01  0.455011D+01 -0.249232D+01  0.667613D+01 -0.323223D+01
      6  -0.289469D+01 -0.524451D+01  0.860648D+00 -0.173093D+01  0.385455D+01
               131           132           133           134           135 
      1  -0.134635D+02  0.912969D+01 -0.355995D+00  0.104247D+02 -0.150049D+02
      2   0.136301D+02 -0.683971D+01 -0.913085D+00 -0.507155D+01  0.391833D+00
      3  -0.166616D+00 -0.228998D+01  0.126908D+01 -0.535313D+01  0.146131D+02
      4  -0.139784D+02  0.686744D+01 -0.543897D+01  0.863725D+01 -0.965852D+01
      5   0.721570D+01 -0.890370D+01  0.957587D+01 -0.999098D+01  0.152739D+02
      6  -0.156701D+02  0.166480D+02 -0.712740D+01  0.176570D+02 -0.223802D+02
               136           137           138           139           140 
      1  -0.199563D+02  0.290690D+02  0.679274D+01  0.280394D+02  0.671886D+01
      2  -0.720693D+01 -0.172265D+02 -0.832000D+01 -0.147020D+02 -0.864311D+01
      3   0.271632D+02 -0.118425D+02  0.152726D+01 -0.133374D+02  0.192425D+01
      4   0.367658D+02 -0.154768D+02  0.491921D+01 -0.815960D+01 -0.315657D+01
      5   0.384766D+01 -0.736466D-01  0.462694D+01  0.279613D+01  0.273588D+00
      6  -0.304194D+01 -0.102646D+02 -0.614224D+01 -0.961690D+01 -0.587381D+01
               141           142           143           144           145 
      1   0.308299D+01  0.511781D+01  0.330069D+01 -0.259311D+01  0.256147D+01
      2  -0.169232D+02 -0.836197D+01 -0.121646D+02  0.136193D+02 -0.373800D+01
      3   0.138402D+02  0.324417D+01  0.886394D+01 -0.110262D+02  0.117653D+01
      4  -0.773471D+00  0.167151D+02 -0.749315D+01 -0.181431D+02  0.191773D+00
      5  -0.154835D+02  0.103780D+02 -0.180822D+02  0.128838D+01  0.363035D+01
      6   0.646451D+01 -0.134696D+02  0.109887D+02  0.552652D+01  0.128522D+01
               146           147           148           149           150 
      1   0.815109D+00  0.731522D+01  0.616737D+00 -0.615042D+01 -0.570364D+01
      2   0.135740D+00 -0.339143D-01 -0.130279D+01  0.144993D+01 -0.206086D+01
      3  -0.950849D+00 -0.728130D+01  0.686052D+00  0.470049D+01  0.776450D+01
      4  -0.924607D+00  0.659845D+00  0.307615D+01  0.592296D+01  0.654384D+01
      5   0.222242D+00  0.809413D+00  0.320057D+01  0.573309D+01  0.881409D+01
      6  -0.860018D+00 -0.136505D+01  0.123374D+01  0.630822D+01  0.107024D+02
               151           152           153           154           155 
      1   0.453039D+01 -0.414510D+01 -0.168584D+02  0.754673D+02 -0.862626D+01
      2  -0.726079D+01 -0.259358D+01 -0.215140D+02 -0.424361D+02  0.473832D+01
      3   0.273040D+01  0.673869D+01  0.383724D+02 -0.330311D+02  0.388794D+01
      4   0.250993D+01  0.760631D+01  0.827552D+01 -0.853555D+01  0.104223D+02
      5   0.126313D+02  0.762923D+01  0.342841D+02  0.168974D+02 -0.220146D+01
      6   0.221020D+01  0.745278D+01  0.122320D+02 -0.136686D+01  0.133242D+01
               156           157           158           159           160 
      1   0.563477D+01 -0.138260D+02  0.766258D+01 -0.213154D+01 -0.192598D+01
      2  -0.535250D+01  0.777679D+01 -0.285092D+01  0.999974D+00 -0.570663D+00
      3  -0.282269D+00  0.604922D+01 -0.481166D+01  0.113157D+01  0.249664D+01
      4  -0.694843D+00  0.123729D+02 -0.568926D+01  0.436172D+00 -0.434893D+00
      5   0.106888D+02 -0.446705D+01  0.123561D+01 -0.188574D+01  0.105496D+02
      6  -0.499581D+00  0.215520D+01 -0.122595D+01  0.214012D+01 -0.742878D+00
               161           162           163           164           165 
      1  -0.257755D+00  0.557168D+01 -0.497821D+00  0.268161D+01  0.109990D+01
      2  -0.768156D+00 -0.539670D+01  0.171885D+01 -0.245785D+01 -0.141165D+01
      3   0.102591D+01 -0.174975D+00 -0.122103D+01 -0.223768D+00  0.311757D+00
      4  -0.969029D+00 -0.279071D+00  0.283887D+01  0.733224D+01  0.440379D+01
      5  -0.627623D+00  0.311962D+01  0.182586D+01  0.277634D+01  0.474810D+01
      6   0.130217D+01  0.376842D+00  0.629309D+01  0.421125D+00  0.868336D+00
               166           167           168           169           170 
      1  -0.426951D+01 -0.303670D+02 -0.111160D+02 -0.234345D+01 -0.241732D+02
      2   0.601444D+01  0.384820D+02  0.131590D+02  0.298986D+01  0.257430D+02
      3  -0.174493D+01 -0.811500D+01 -0.204301D+01 -0.646407D+00 -0.156974D+01
      4   0.679139D+01  0.100849D+02  0.382031D+01  0.826193D+01  0.776077D+01
      5   0.246536D+01  0.404537D+01  0.314136D+01  0.524297D+01  0.686991D+01
      6   0.334522D+01  0.206528D+02  0.166664D+02  0.629452D+01  0.300416D+02
               171           172           173           174           175 
      1  -0.205420D+02  0.149309D-01  0.360978D+01 -0.286503D+01 -0.400853D+01
      2   0.154399D+02  0.431076D+00 -0.383597D+01  0.189517D+01  0.484580D+01
      3   0.510213D+01 -0.446007D+00  0.226194D+00  0.969865D+00 -0.837267D+00
      4   0.568701D+01  0.802343D+00  0.619543D+01 -0.421378D+01  0.544382D+01
      5   0.582156D+01 -0.111282D+01 -0.241237D+01  0.341811D+01 -0.163800D+01
      6   0.247944D+02 -0.520298D+01  0.197156D+01 -0.132581D+01 -0.203861D+01
               176           177           178           179           180 
      1  -0.264028D+02  0.119962D+02  0.106454D+01  0.195507D+02 -0.202373D+02
      2   0.320697D+02 -0.131325D+02 -0.130217D+01 -0.192441D+02  0.135244D+02
      3  -0.566683D+01  0.113628D+01  0.237632D+00 -0.306613D+00  0.671291D+01
      4   0.736150D+01 -0.285795D+01 -0.597809D+01 -0.513427D+01  0.448024D+01
      5  -0.368973D+01  0.342798D+01  0.391933D+01  0.603231D+01 -0.513766D+01
      6  -0.190633D+02  0.171680D+02  0.480026D+01  0.260905D+02 -0.230360D+02
               181           182           183           184           185 
      1   0.346574D+01 -0.156662D+01 -0.403908D+01  0.115561D+01 -0.774502D+00
      2  -0.338928D+01  0.504466D+00  0.365959D+01 -0.253425D+01 -0.522458D+01
      3  -0.764676D-01  0.106215D+01  0.379490D+00  0.137863D+01  0.599909D+01
      4  -0.250745D+01  0.200786D+01  0.367404D+00 -0.312443D+00  0.741468D+01
      5  -0.454904D+01 -0.149990D+01  0.465529D+01 -0.584368D+01 -0.343491D+01
      6   0.762349D+00  0.108721D+01  0.485231D+00  0.159206D+01 -0.278301D+01
               186           187           188           189           190 
      1   0.202937D+01 -0.394105D+01 -0.775265D+00 -0.783296D+01  0.436375D+02
      2   0.115059D+02  0.619243D+01  0.938951D+01 -0.193458D+02 -0.974982D+01
      3  -0.135353D+02 -0.225138D+01 -0.861425D+01  0.271788D+02 -0.338877D+02
      4  -0.340350D+01  0.971077D+00 -0.538828D+01  0.528717D+01 -0.498542D+02
      5   0.118774D+02  0.847761D+01  0.491054D+01 -0.202221D+02 -0.135943D+02
      6  -0.194482D+01 -0.132777D+01  0.291724D+01  0.743225D+01  0.536138D+01
               191           192           193           194           195 
      1  -0.133866D+02  0.148307D+00 -0.102957D+02  0.294481D+01 -0.920829D+00
      2  -0.398967D+01  0.180876D+01 -0.410909D+01  0.900377D+01  0.121848D+01
      3   0.173763D+02 -0.195706D+01  0.144048D+02 -0.119486D+02 -0.297654D+00
      4   0.306949D+02  0.288110D+01  0.252857D+02 -0.209441D+02 -0.116667D+01
      5   0.633049D+01  0.974768D+01  0.424509D+01 -0.321218D+01 -0.243057D+01
      6  -0.415212D+01 -0.645457D+01 -0.211622D+01  0.379429D+01  0.351704D+01
               196           197           198           199           200 
      1   0.427169D+01 -0.105277D+01  0.382880D+01 -0.674686D+01 -0.168853D+02
      2   0.125316D+01 -0.119879D+01 -0.254585D+01  0.920673D+01  0.185801D+02
      3  -0.552485D+01  0.225156D+01 -0.128295D+01 -0.245987D+01 -0.169480D+01
      4  -0.655030D+01  0.446313D+01 -0.372790D+01  0.336235D+01  0.234177D+01
      5   0.669561D+01 -0.169255D+01  0.437086D+00  0.285893D+01  0.664845D+00
      6  -0.420066D+01  0.246653D+01 -0.132195D+01  0.408152D+01  0.101246D+02
               201           202           203           204           205 
      1  -0.782176D+01 -0.116018D+02 -0.264953D+02 -0.105914D+02 -0.353313D+01
      2   0.551280D+01  0.103463D+02  0.355248D+02  0.103675D+02  0.248428D+01
      3   0.230896D+01  0.125549D+01 -0.902955D+01  0.223905D+00  0.104885D+01
      4  -0.160312D+00  0.725173D+01 -0.629632D+01 -0.220062D+01 -0.317147D+00
      5  -0.938150D+00  0.279267D+01 -0.162339D+01 -0.112274D+01  0.116070D+01
      6   0.843677D+01  0.423652D+01  0.175324D+02  0.113755D+02  0.415672D+01
               206           207 
      1  -0.876038D+01 -0.863709D+01
      2   0.765568D+01  0.420386D+01
      3   0.110470D+01  0.443323D+01
      4  -0.813583D+00  0.122251D+01
      5  -0.954397D-01 -0.163017D+01
      6   0.992241D+01  0.786920D+01
 Leave Link  716 at Fri Jul 23 18:25:00 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146032D+03 -0.224600D+01  0.268167D+01
      2  -0.224600D+01  0.127887D+03 -0.395239D+01
      3   0.268167D+01 -0.395239D+01  0.846554D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.209791D+01 -0.534849D+01 -0.114271D+02
      2   0.734029D+01 -0.121127D+02 -0.495630D+01
      3   0.546391D+01 -0.491916D+02  0.922843D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.140313D+03  0.138578D+02  0.280490D+01
      2  -0.713881D+02  0.594105D+01  0.942532D+01
      3  -0.689253D+02 -0.197988D+02 -0.122302D+02
      4   0.497285D+02  0.673419D+02 -0.275168D+02
      5   0.237382D+01 -0.287979D+02 -0.174295D+02
      6  -0.130362D+02  0.798727D+01  0.154295D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.208334D+01  0.183809D+01 -0.297990D+00  0.427517D+01 -0.905432D+00
      2   0.183809D+01  0.193453D+01 -0.562013D+00 -0.905432D+00  0.249803D+01
      3  -0.297990D+00 -0.562013D+00  0.184868D+01  0.946405D+00  0.841560D+00
                 6             7             8             9            10 
      1   0.946405D+00 -0.140216D+01  0.738962D+00  0.408836D+01  0.516722D+01
      2   0.841560D+00  0.738962D+00  0.708190D+00  0.285990D+01 -0.115614D+01
      3   0.127615D+01  0.408836D+01  0.285990D+01 -0.466966D+00 -0.378340D+00
                11            12            13            14            15 
      1  -0.115614D+01 -0.378340D+00 -0.204218D+01 -0.129846D+01  0.104191D+01
      2   0.248957D+01 -0.184242D+00 -0.129846D+01 -0.254900D+01 -0.677482D+00
      3  -0.184242D+00  0.195866D+01  0.104191D+01 -0.677482D+00 -0.462203D+00
                16            17            18            19            20 
      1   0.402873D-01  0.122276D+01  0.499528D+01  0.186201D+00 -0.477674D+01
      2   0.122276D+01  0.118577D+00 -0.134191D+01 -0.477674D+01  0.346492D-02
      3   0.499528D+01 -0.134191D+01  0.111879D+01  0.252975D+00 -0.140188D+00
                21            22            23            24            25 
      1   0.252975D+00  0.434323D+01 -0.112024D+01 -0.722731D-01 -0.612274D+00
      2  -0.140188D+00 -0.112024D+01  0.206195D+01  0.876520D+00 -0.893147D+00
      3  -0.423686D+00 -0.722731D-01  0.876520D+00  0.148809D+01  0.442375D-01
                26            27            28            29            30 
      1  -0.893147D+00  0.442375D-01 -0.116042D+02  0.555934D+01 -0.292049D+00
      2   0.118614D+01  0.347512D+01  0.555934D+01 -0.566820D+01  0.222291D+00
      3   0.347512D+01 -0.220589D+01 -0.292049D+00  0.222291D+00 -0.141917D+01
                31            32            33            34            35 
      1   0.952579D+01  0.152404D+01 -0.685540D+00 -0.191984D+01 -0.927164D+00
      2   0.152404D+01  0.237964D+01 -0.199101D+00 -0.927164D+00 -0.179738D+00
      3  -0.685540D+00 -0.199101D+00  0.387526D+00 -0.307359D+01  0.181680D+01
                36            37            38            39            40 
      1  -0.307359D+01 -0.139631D+01 -0.437179D+01  0.463714D+00 -0.127887D+02
      2   0.181680D+01 -0.437179D+01 -0.654208D+01  0.396371D+00 -0.255597D+01
      3  -0.887901D+00  0.463714D+00  0.396371D+00 -0.994537D+00 -0.437610D+00
                41            42            43            44            45 
      1  -0.255597D+01 -0.437610D+00  0.289044D+01 -0.180785D+00 -0.202182D+01
      2  -0.553938D+01 -0.241872D+00 -0.180785D+00 -0.513206D+00 -0.275886D+01
      3  -0.241872D+00 -0.797003D+00 -0.202182D+01 -0.275886D+01  0.559380D+00
                46            47            48            49            50 
      1  -0.297236D+01  0.360158D+01 -0.292096D+00 -0.382100D+01  0.450707D+00
      2   0.360158D+01  0.273341D+01  0.402758D+00  0.450707D+00 -0.138362D+01
      3  -0.292096D+00  0.402758D+00 -0.140542D+00  0.382522D-01 -0.760008D+00
                51            52            53            54            55 
      1   0.382522D-01  0.343975D+00  0.517704D+00  0.135989D+01  0.179626D+01
      2  -0.760008D+00  0.517704D+00 -0.132647D+01 -0.344633D+01 -0.738916D+00
      3  -0.148541D+01  0.135989D+01 -0.344633D+01  0.192091D+01 -0.297385D+00
                56            57            58            59            60 
      1  -0.738916D+00 -0.297385D+00 -0.254355D+01  0.431921D+01  0.127931D+01
      2   0.297034D+01  0.153986D+01  0.431921D+01 -0.170820D+01  0.184482D+01
      3   0.153986D+01  0.163588D+01  0.127931D+01  0.184482D+01 -0.380635D+01
                61            62            63            64            65 
      1  -0.205723D+01  0.197132D+01  0.339942D+01  0.654917D+01 -0.250619D+01
      2   0.197132D+01  0.738466D+00 -0.480357D+01 -0.250619D+01 -0.156340D+01
      3   0.339942D+01 -0.480357D+01  0.140707D+01 -0.453701D-01 -0.946399D+00
                66            67            68            69            70 
      1  -0.453701D-01 -0.367822D+01 -0.917494D+00 -0.976136D+00 -0.402999D+00
      2  -0.946399D+00 -0.917494D+00  0.252987D+00 -0.144018D+01 -0.379644D+00
      3  -0.193364D+01 -0.976136D+00 -0.144018D+01  0.158909D+01 -0.430430D-01
                71            72            73            74            75 
      1  -0.379644D+00 -0.430430D-01 -0.599928D+01 -0.667093D+00  0.976507D+00
      2  -0.950897D+00  0.336059D+01 -0.667093D+00  0.846881D+00  0.848049D+00
      3   0.336059D+01  0.593468D+01  0.976507D+00  0.848049D+00  0.713453D-01
                76            77            78            79            80 
      1   0.542608D+00 -0.165154D+01  0.506180D+00  0.133110D+01 -0.225485D-01
      2  -0.165154D+01 -0.306028D+01  0.123687D+01 -0.225485D-01  0.140083D+01
      3   0.506180D+00  0.123687D+01  0.473635D-01 -0.126333D+01 -0.191732D+01
                81            82            83            84            85 
      1  -0.126333D+01  0.272535D+01  0.576068D-01  0.263452D-01  0.165869D+01
      2  -0.191732D+01  0.576068D-01 -0.761980D+00 -0.289367D+00  0.376387D+01
      3   0.501447D+00  0.263452D-01 -0.289367D+00 -0.659054D+00  0.446077D+00
                86            87            88            89            90 
      1   0.376387D+01  0.446077D+00  0.480214D+00  0.103540D+01  0.121774D+01
      2   0.835778D+01  0.590609D+00  0.103540D+01  0.192848D+01  0.617996D+01
      3   0.590609D+00  0.345439D+01  0.121774D+01  0.617996D+01  0.637798D+00
                91            92            93            94            95 
      1   0.773668D+01  0.434347D+01 -0.372600D+00  0.436872D+01  0.405449D+01
      2   0.434347D+01  0.310934D+01 -0.203259D+00  0.405449D+01  0.435100D+01
      3  -0.372600D+00 -0.203259D+00  0.741097D+00 -0.551626D+00 -0.444810D+00
                96            97            98            99           100 
      1  -0.551626D+00 -0.298065D+00 -0.411709D+00  0.318418D-01  0.119556D+02
      2  -0.444810D+00 -0.411709D+00 -0.638552D+00  0.793810D-01 -0.287574D+01
      3   0.667372D+00  0.318418D-01  0.793810D-01 -0.117517D+00  0.121480D+01
               101           102           103           104           105 
      1  -0.287574D+01  0.121480D+01 -0.291090D+01  0.229402D+01 -0.588965D+00
      2   0.143672D+01 -0.287436D+00  0.229402D+01 -0.136655D+01  0.307981D+00
      3  -0.287436D+00  0.103724D+01 -0.588965D+00  0.307981D+00 -0.397184D+00
               106           107           108           109           110 
      1   0.154796D+01 -0.612337D+00  0.156865D+00 -0.500110D+00  0.129621D+01
      2  -0.612337D+00  0.417673D+00 -0.112080D+00  0.129621D+01 -0.942153D+00
      3   0.156865D+00 -0.112080D+00  0.190821D+00 -0.217908D+00  0.255432D+00
               111           112           113           114           115 
      1  -0.217908D+00  0.113719D+01 -0.507201D+00  0.332145D-01 -0.223681D+00
      2   0.255432D+00 -0.507201D+00  0.941402D+01 -0.168226D+01  0.256559D+00
      3  -0.116828D+00  0.332145D-01 -0.168226D+01  0.119279D+01  0.612920D-01
               116           117           118           119           120 
      1   0.256559D+00  0.612920D-01  0.105483D+01 -0.168566D+01  0.358265D+00
      2  -0.187190D+01  0.408104D+00 -0.168566D+01  0.165175D+01 -0.332423D+00
      3   0.408104D+00 -0.276076D+00  0.358265D+00 -0.332423D+00  0.321498D+00
               121           122           123           124           125 
      1  -0.167972D+01  0.237037D+01 -0.445834D+00  0.243554D+00 -0.510180D+00
      2   0.237037D+01 -0.973883D+01  0.166971D+01 -0.510180D+00  0.189232D+01
      3  -0.445834D+00  0.166971D+01 -0.118650D+01  0.198662D+00 -0.433196D+00
               126           127           128           129           130 
      1   0.198662D+00 -0.230344D+00  0.862478D+00 -0.109369D+01  0.225970D+01
      2  -0.433196D+00  0.862478D+00 -0.527322D+00  0.663532D-01 -0.191365D+01
      3   0.274910D+00 -0.109369D+01  0.663532D-01 -0.618177D+00  0.480614D+00
               131           132           133           134           135 
      1  -0.191365D+01  0.480614D+00 -0.177843D+01  0.828420D+00 -0.155125D+01
      2   0.428070D+01 -0.241316D+01  0.828420D+00 -0.278669D+01  0.317284D+01
      3  -0.241316D+01  0.282371D+01 -0.155125D+01  0.317284D+01 -0.508131D+01
               136           137           138           139           140 
      1   0.564781D+01 -0.468922D+01  0.185651D+00 -0.243745D+01 -0.194415D+01
      2  -0.468922D+01 -0.101461D+01 -0.205806D+01 -0.194415D+01 -0.944324D+00
      3   0.185651D+00 -0.205806D+01 -0.124951D+01 -0.223357D+01 -0.115910D+01
               141           142           143           144           145 
      1  -0.223357D+01  0.419993D+01 -0.373672D+01 -0.208293D+01 -0.467437D+00
      2  -0.115910D+01 -0.373672D+01  0.449273D+00  0.367911D+01 -0.726833D-01
      3   0.330801D+01 -0.208293D+01  0.367911D+01 -0.828600D+00 -0.932716D+00
               146           147           148           149           150 
      1  -0.726833D-01 -0.932716D+00 -0.164267D+00 -0.150286D+00 -0.339291D+00
      2   0.537561D+00  0.264722D+00 -0.150286D+00 -0.143775D+01 -0.158779D+01
      3   0.264722D+00  0.111912D+01 -0.339291D+00 -0.158779D+01 -0.223586D+01
               151           152           153           154           155 
      1  -0.150190D+01 -0.281781D+00 -0.158007D+01 -0.116780D+02  0.138569D+01
      2  -0.281781D+00 -0.170794D+01 -0.190566D+01  0.138569D+01 -0.124354D+01
      3  -0.158007D+01 -0.190566D+01 -0.857713D+01 -0.107521D+01  0.118502D+00
               156           157           158           159           160 
      1  -0.107521D+01  0.233006D+01 -0.145562D+01  0.361455D+00  0.349432D+00
      2   0.118502D+00 -0.145562D+01  0.874723D+00  0.157728D-01  0.561417D-01
      3  -0.115431D+01  0.361455D+00  0.157728D-01  0.971652D-01 -0.125018D+01
               161           162           163           164           165 
      1   0.561417D-01 -0.125018D+01 -0.676470D+00 -0.987962D+00 -0.920263D+00
      2   0.264413D+00 -0.537128D-01 -0.987962D+00  0.242788D+00 -0.725161D-01
      3  -0.537128D-01 -0.548893D+00 -0.920263D+00 -0.725161D-01 -0.245945D+00
               166           167           168           169           170 
      1  -0.158696D+01 -0.167117D+01 -0.438787D+00 -0.258635D+01 -0.129961D+01
      2  -0.167117D+01 -0.718665D+01 -0.270999D+01 -0.129961D+01 -0.556421D+01
      3  -0.438787D+00 -0.270999D+01 -0.210370D+01 -0.856173D+00 -0.427060D+01
               171           172           173           174           175 
      1  -0.856173D+00 -0.143849D-01 -0.477330D+00  0.843054D+00 -0.125496D+01
      2  -0.427060D+01 -0.477330D+00  0.652731D+00 -0.260959D+00 -0.131475D+01
      3  -0.404259D+01  0.843054D+00 -0.260959D+00  0.156987D+00  0.251058D+00
               176           177           178           179           180 
      1  -0.131475D+01  0.251058D+00  0.166623D+01  0.748300D+00 -0.613136D+00
      2  -0.612337D+01  0.265649D+01  0.748300D+00  0.426908D+01 -0.390967D+01
      3   0.265649D+01 -0.236082D+01 -0.613136D+00 -0.390967D+01  0.394485D+01
               181           182           183           184           185 
      1  -0.848099D+00  0.366267D-02  0.760797D+00 -0.932646D+00  0.167510D+00
      2   0.366267D-02  0.920944D-01  0.291271D+00  0.167510D+00 -0.162123D+01
      3   0.760797D+00  0.291271D+00 -0.625016D-01  0.880855D+00  0.996111D+00
               186           187           188           189           190 
      1   0.880855D+00  0.110010D+01  0.365201D+00 -0.981746D+00 -0.100456D+02
      2   0.996111D+00  0.365201D+00  0.147612D+01 -0.122239D+01  0.455062D+01
      3  -0.304550D+01 -0.981746D+00 -0.122239D+01  0.537779D+01  0.720059D+00
               191           192           193           194           195 
      1   0.455062D+01  0.720059D+00  0.357428D+01 -0.259597D+01 -0.346616D-01
      2  -0.311918D+01 -0.410939D+00 -0.259597D+01  0.275599D+01  0.358112D+00
      3  -0.410939D+00 -0.131442D+01 -0.346616D-01  0.358112D+00  0.282374D+00
               196           197           198           199           200 
      1  -0.146857D+01  0.853297D+00 -0.839869D+00  0.153007D+01  0.150674D+01
      2   0.853297D+00 -0.708203D+00  0.151590D+00  0.150674D+01  0.268130D+01
      3  -0.839869D+00  0.151590D+00 -0.193857D+00  0.413451D+00  0.134219D+01
               201           202           203           204           205 
      1   0.413451D+00  0.182509D+01  0.105773D+01  0.538961D+00  0.582600D-01
      2   0.134219D+01  0.105773D+01  0.543236D+01  0.192120D+01  0.661561D+00
      3   0.144181D+01  0.538961D+00  0.192120D+01  0.126649D+01  0.603538D+00
               206           207 
      1   0.661561D+00  0.603538D+00
      2   0.139825D+01  0.991899D+00
      3   0.991899D+00  0.135829D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.628685D+00 -0.703349D+00 -0.247924D+01 -0.171075D+01  0.861713D+00
      2  -0.128832D+01 -0.657659D+00  0.458669D+01  0.255291D+01  0.210069D+01
      3  -0.487933D+01 -0.122757D+02  0.137590D+01  0.731072D+01 -0.306869D+00
                 6             7             8             9            10 
      1  -0.367592D+00 -0.787317D+01  0.596824D+01 -0.220694D+01 -0.484657D+00
      2   0.417664D+01  0.159751D+01  0.109685D+02 -0.194515D+01  0.714901D+00
      3  -0.170960D+01 -0.155083D+01 -0.316188D+01 -0.426324D+01  0.405918D+01
                11            12            13            14            15 
      1  -0.356209D+00  0.120286D+01 -0.240292D+00  0.206711D+01  0.753851D+00
      2  -0.227070D+00  0.583713D+01  0.367577D+01 -0.878276D+00 -0.192744D+01
      3  -0.988739D+01  0.629523D+00  0.106239D+02 -0.354485D+00  0.233523D+01
                16            17            18            19            20 
      1   0.485112D+01  0.106659D+02 -0.132299D+01  0.495579D+00  0.905618D+00
      2   0.831843D+01 -0.617877D+01  0.302755D+01  0.294185D+01 -0.330324D+01
      3  -0.286701D+01  0.188807D+01  0.198783D+01  0.545187D+01 -0.643396D+01
                21            22            23            24            25 
      1   0.173530D+01  0.133788D+00 -0.513391D+00 -0.265199D+01  0.252499D+01
      2  -0.729436D+00 -0.173911D+01 -0.307091D+00  0.295354D+01 -0.138354D+02
      3   0.237447D+01  0.427027D+01 -0.867049D+01 -0.292481D+00  0.272118D+01
                26            27            28            29            30 
      1   0.335174D+00  0.138522D+01 -0.633640D+00 -0.395593D+00  0.103862D+01
      2   0.508952D+01 -0.388916D+01 -0.133810D+01  0.239653D+01 -0.240993D+01
      3  -0.215709D+01 -0.739414D+01 -0.645828D+00  0.110676D+02 -0.106794D+01
                31            32            33            34            35 
      1  -0.735276D+00  0.202288D+01 -0.419943D+00  0.255156D+01  0.918040D+01
      2   0.209391D+01 -0.987650D+00  0.559434D-01 -0.144972D+02  0.127657D+01
      3   0.125337D+02 -0.109127D+02 -0.187804D+01  0.135022D+01  0.306443D+01
                36            37            38            39            40 
      1  -0.949360D+00  0.136618D+01 -0.540880D+00 -0.255872D+00 -0.153852D+01
      2  -0.936762D+00  0.100970D+01  0.743078D+00 -0.145350D+01 -0.276556D+01
      3  -0.233866D+01 -0.655915D+01  0.677864D+01 -0.262607D+01  0.116187D+02
                41            42            43            44            45 
      1   0.866478D-01 -0.737138D+00 -0.376176D+01  0.791358D+01 -0.617120D+00
      2   0.321381D+01 -0.730743D+00 -0.135806D+02 -0.628091D+00 -0.879258D+00
      3   0.169830D+02  0.109883D+01 -0.142979D+00 -0.252269D+01  0.382612D+01
                46            47            48            49            50 
      1  -0.123925D-01  0.628969D+00 -0.847242D+00  0.133257D+01 -0.490524D+00
      2  -0.978801D+00 -0.174364D+01  0.192065D+00 -0.236221D+01 -0.191144D+01
      3  -0.862291D+00 -0.129803D+02  0.171244D+01 -0.110094D-01  0.560200D+01
                51            52            53            54            55 
      1  -0.210558D+01  0.204318D+01  0.837843D+00  0.143882D+00  0.601075D+00
      2  -0.397862D+01 -0.105406D+02 -0.919153D+01  0.327869D+01 -0.616307D+00
      3   0.830585D+00  0.157699D+01  0.147860D+01  0.703538D+01  0.293530D+01
                56            57            58            59            60 
      1  -0.299230D+01 -0.257250D+01 -0.178180D+01 -0.369974D+01  0.917288D+00
      2  -0.120251D+01  0.130382D+01 -0.317610D+01  0.265687D+00  0.636188D+01
      3  -0.155238D+01  0.171217D+01  0.122166D+02  0.608938D+01  0.638185D+01
                61            62            63            64            65 
      1  -0.681435D+01  0.926404D+01  0.752491D-01  0.281431D+01  0.171405D+01
      2  -0.113670D+02  0.936342D+01 -0.846057D-01  0.818664D+01 -0.181209D+01
      3   0.102357D+00  0.659080D+01 -0.473522D+01 -0.106585D+02 -0.719202D+01
                66            67            68            69            70 
      1   0.149146D+01 -0.406727D+00  0.237131D+01  0.152473D+01  0.227624D+01
      2   0.598407D+01 -0.228274D+01  0.192559D+01 -0.602070D+01 -0.235009D+01
      3  -0.313196D+01 -0.509575D+01  0.270506D+01 -0.505953D+01  0.837464D+00
                71            72            73            74            75 
      1   0.190560D+01 -0.229908D+01  0.564937D+00  0.790521D+00  0.355240D+00
      2  -0.100323D+02 -0.153183D+02  0.145470D+01 -0.120872D+01  0.590830D+01
      3  -0.334103D+01  0.742528D+01  0.135862D+02 -0.639581D+01  0.100945D+01
                76            77            78            79            80 
      1  -0.861500D+00  0.203073D+01 -0.738831D+01 -0.438207D+01  0.162858D+01
      2   0.488626D-02 -0.404176D+01 -0.230447D+00 -0.305889D+01  0.528651D+01
      3   0.314262D+01 -0.606375D+01  0.523111D+01 -0.259085D+01  0.746364D+01
                81            82            83            84            85 
      1   0.398787D+01 -0.654580D-01  0.412640D+00 -0.369283D+01  0.134956D+01
      2  -0.195277D+01 -0.236458D+01  0.595272D+00 -0.169595D+01  0.609317D+00
      3  -0.235202D+01 -0.560878D+01 -0.861582D-01 -0.949693D+00  0.786320D+01
                86            87            88            89            90 
      1   0.173843D+01  0.883033D+01  0.625340D+01  0.210382D+02  0.139332D+01
      2  -0.301307D+00 -0.432627D+00 -0.562503D+01 -0.468151D+01 -0.590751D-01
      3  -0.527593D+01 -0.884436D+00 -0.245656D+01 -0.273886D+01  0.311794D+01
                91            92            93            94            95 
      1  -0.210250D+00 -0.425781D+00 -0.231812D+01  0.307418D+00 -0.102719D+00
      2   0.400481D+00  0.296668D+00  0.412926D+01 -0.947692D+00 -0.767340D+00
      3  -0.253801D+01 -0.610528D+01  0.608117D-01 -0.513152D+01 -0.911254D+01
                96            97            98            99           100 
      1  -0.235700D+01  0.117630D+01  0.102880D+01  0.157290D+00  0.225136D+00
      2   0.336412D+01 -0.159664D+01 -0.933839D+00 -0.205325D+00  0.184863D+01
      3   0.637220D+00  0.816663D+00  0.132840D+01 -0.626831D-01  0.254510D+01
               101           102           103           104           105 
      1   0.409764D+00  0.143035D+01 -0.725671D-01 -0.129654D+00 -0.810551D+00
      2  -0.441359D+00  0.613188D+01 -0.164599D+01  0.814355D+00 -0.217154D+01
      3  -0.589094D+01  0.275461D+00 -0.492452D+01  0.378295D+01 -0.686761D+00
               106           107           108           109           110 
      1  -0.750425D+00  0.472742D+00  0.204574D+00 -0.300059D+00  0.128815D+00
      2  -0.221504D+01  0.537121D+00  0.606123D+00 -0.727733D+00  0.683499D+00
      3   0.110429D+01 -0.121039D+01  0.223976D+00 -0.441321D+01  0.368933D+01
               111           112           113           114           115 
      1   0.699320D+00  0.384686D+00 -0.902926D+00 -0.457588D+01 -0.284963D+00
      2  -0.103257D+00  0.997774D+00 -0.241645D+01  0.111225D+01 -0.126337D+01
      3  -0.616876D+00  0.612789D+01 -0.148373D+02  0.264998D+01 -0.130173D+01
               116           117           118           119           120 
      1   0.209712D+01  0.588238D+00  0.329678D-01 -0.178412D+00  0.974896D+00
      2   0.378591D+00 -0.966987D-01  0.450883D+00 -0.226869D+00  0.788221D+00
      3   0.315700D+01 -0.131499D+00  0.175832D+01 -0.656486D+00  0.147154D+00
               121           122           123           124           125 
      1  -0.263602D+00 -0.267488D+00 -0.462056D+01 -0.891431D-01  0.182582D+01
      2  -0.433988D-01  0.312433D+01 -0.276292D+01 -0.106807D+01 -0.154243D-01
      3   0.134393D+01  0.164117D+02 -0.276311D+01 -0.220039D+00 -0.332592D+01
               126           127           128           129           130 
      1   0.667511D+00  0.885124D+00  0.405441D+00  0.837525D+00 -0.177197D+00
      2   0.424613D+00  0.149556D+01  0.106378D+00  0.102897D+01  0.952260D+00
      3  -0.239934D-01  0.221072D+01 -0.190635D+01 -0.136583D+01  0.171095D+01
               131           132           133           134           135 
      1  -0.493187D-01 -0.382289D+01  0.201736D+01 -0.155633D+00  0.491932D+01
      2   0.252445D+01 -0.414410D+01 -0.679376D+00 -0.413208D+01  0.648824D+01
      3   0.502903D+01 -0.384641D+01 -0.208993D+01 -0.487168D+01  0.425677D+01
               136           137           138           139           140 
      1  -0.594883D+01  0.212932D+01  0.544620D+00  0.514409D+01 -0.608576D+00
      2  -0.663692D+01  0.104704D+02  0.540988D+01  0.968346D+01  0.295757D+01
      3   0.173141D+01 -0.159840D+02 -0.430648D+01 -0.933120D+01 -0.725192D+01
               141           142           143           144           145 
      1  -0.124688D+02  0.839050D+00 -0.761911D+01  0.515240D+01  0.733453D-01
      2  -0.434702D+01  0.241771D+01 -0.528185D+01  0.282762D+01  0.247543D+01
      3  -0.826609D+01 -0.216680D+01 -0.908917D+01  0.437243D+01  0.572444D+00
               146           147           148           149           150 
      1  -0.160490D+01  0.150795D+00 -0.272760D+00  0.246863D+01  0.250407D+00
      2  -0.346420D+00 -0.283150D+01 -0.605079D+00  0.354695D+01  0.471938D+01
      3   0.173557D+01  0.472679D+00  0.268729D+01 -0.374900D+01 -0.344665D+01
               151           152           153           154           155 
      1  -0.231823D-01  0.502862D+01  0.534442D+00 -0.108995D+01  0.143129D+01
      2  -0.138200D+01  0.423656D+01  0.191167D+02 -0.751621D+01  0.824871D+00
      3   0.492493D+00 -0.487858D+01 -0.310831D+01  0.441988D+01 -0.720689D+01
               156           157           158           159           160 
      1   0.206238D+00  0.120965D+01 -0.109019D+01 -0.870413D+00 -0.364951D+00
      2   0.506228D+01  0.122991D+01 -0.111112D+01 -0.484702D+00  0.249179D+01
      3   0.513567D+00 -0.296695D+01  0.337020D+01  0.511234D+00  0.568275D+00
               161           162           163           164           165 
      1   0.420577D+00  0.408047D+00 -0.258207D+01  0.131912D+00 -0.480281D+00
      2   0.363379D+00  0.241296D+00 -0.356961D+00 -0.364269D+00  0.133490D+01
      3   0.137248D+01 -0.167587D+00  0.195221D+01  0.134854D+01  0.288139D+01
               166           167           168           169           170 
      1  -0.155910D+01 -0.533242D+01 -0.710087D+01 -0.258151D+01 -0.873592D+01
      2  -0.266394D+00  0.114803D+01  0.123277D+01 -0.444270D+00  0.226838D+01
      3   0.360911D+01 -0.248242D+01 -0.125856D+01  0.736491D+01 -0.725430D+00
               171           172           173           174           175 
      1  -0.105458D+02  0.176946D+01 -0.210507D+00  0.514769D+00  0.974714D+00
      2   0.171651D+01 -0.464691D-01  0.355141D+00  0.416729D+00  0.644040D+00
      3  -0.192665D+01 -0.580494D+00 -0.103111D+01 -0.223171D+01  0.286118D+01
               176           177           178           179           180 
      1   0.461442D+01 -0.674947D+01 -0.185398D+01 -0.718837D+01  0.956889D+01
      2  -0.217836D+01  0.177162D+01 -0.140445D+01  0.255523D+01 -0.275804D+01
      3  -0.228075D+01  0.225959D+01 -0.472194D+01  0.272371D+01 -0.287383D+01
               181           182           183           184           185 
      1  -0.146031D+01 -0.232802D+00  0.680293D+00 -0.124803D+01 -0.650055D+01
      2  -0.715096D+00 -0.444247D+00  0.818572D-01  0.206331D+00 -0.227170D+01
      3  -0.133611D+01 -0.291547D+00  0.173146D+01 -0.206780D+00 -0.415013D+01
               186           187           188           189           190 
      1   0.618478D+01  0.197642D+01  0.688697D+01 -0.116527D+02  0.198112D+01
      2   0.544065D+01 -0.171319D+01  0.259356D+01 -0.955309D+01  0.696435D+01
      3   0.360411D+01  0.246058D+01  0.426248D+01 -0.462102D+01 -0.118711D+02
               191           192           193           194           195 
      1  -0.204551D+01  0.356825D+01 -0.187409D+01  0.160509D+01 -0.123412D+01
      2  -0.266814D+01  0.519473D+01 -0.303410D+01  0.100266D+01 -0.151119D+01
      3  -0.510856D+00  0.238812D+00  0.347547D+01  0.155287D+01  0.766047D+00
               196           197           198           199           200 
      1   0.183380D+01  0.395845D+00  0.556944D+00  0.134970D+01  0.597903D+00
      2   0.114881D+01 -0.313197D+00  0.128560D+01 -0.401604D+01 -0.380034D+01
      3  -0.823193D+00  0.307223D+00 -0.173605D+01  0.985359D+01  0.782259D+01
               201           202           203           204           205 
      1  -0.278443D+01  0.564118D+00  0.179526D+01 -0.250902D+01 -0.687305D+00
      2  -0.183850D+01 -0.378219D+01 -0.545165D+01 -0.244673D+01 -0.238316D+01
      3   0.313533D+01  0.930235D+01  0.127982D+02  0.512621D+01  0.153645D+01
               206           207 
      1   0.749968D+00 -0.212333D+01
      2  -0.240488D+01 -0.267510D+01
      3   0.438591D+01  0.348917D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.928889D+00 -0.169629D+02  0.280303D+01  0.299141D+02 -0.277215D-01
      2  -0.256493D+01  0.123504D+02  0.401592D+00 -0.270832D+02 -0.372859D+01
      3   0.349382D+01  0.461258D+01 -0.320462D+01 -0.283093D+01  0.375631D+01
      4  -0.178215D+02  0.157498D+02 -0.414556D+01 -0.833822D+00 -0.175811D+02
      5  -0.157100D+01 -0.255497D+01  0.973457D+01  0.718768D+01  0.588612D+01
      6  -0.223553D+01 -0.214289D+01  0.599780D+01  0.637143D+01  0.266660D+01
                 6             7             8             9            10 
      1   0.219502D+01 -0.895510D+01 -0.159215D+01  0.109363D+02 -0.399763D+01
      2  -0.269446D+01  0.100861D+02  0.352263D+01 -0.138524D+02  0.252992D+01
      3   0.499436D+00 -0.113098D+01 -0.193048D+01  0.291610D+01  0.146771D+01
      4   0.887261D+01  0.245441D+01  0.928149D+01  0.146664D+02  0.909114D+01
      5   0.893974D+01  0.289329D+02  0.165820D+02 -0.505938D+01 -0.573891D+01
      6   0.151737D+01  0.918148D+01  0.975675D+01  0.293820D+01 -0.750158D+00
                11            12            13            14            15 
      1   0.538790D+01 -0.549683D+01 -0.211924D+02 -0.199047D+02  0.574597D+01
      2  -0.285918D+01  0.242567D+01  0.183982D+02  0.183814D+02 -0.639598D+01
      3  -0.252872D+01  0.307116D+01  0.279420D+01  0.152336D+01  0.650003D+00
      4   0.226476D+02 -0.497039D+00 -0.181983D+02  0.157251D+02 -0.730202D+01
      5   0.547298D+00  0.127511D+02  0.970003D+01 -0.381298D+01 -0.433564D+01
      6   0.190550D+00 -0.301315D+01 -0.537936D+01 -0.202343D+01 -0.151474D+01
                16            17            18            19            20 
      1  -0.293439D+01  0.785746D+01  0.167982D+02  0.111031D+02 -0.209707D+01
      2  -0.223110D+01 -0.515282D+01 -0.196949D+02 -0.841237D+01 -0.205373D+01
      3   0.516550D+01 -0.270464D+01  0.289675D+01 -0.269070D+01  0.415081D+01
      4   0.118991D+02 -0.491116D+01 -0.538640D+01  0.758882D+01 -0.257378D+02
      5   0.360145D+02 -0.855435D+01  0.621905D+01  0.263988D+01  0.214678D+01
      6  -0.392262D+01  0.476926D+01  0.195272D+01  0.225466D+01 -0.408723D+00
                21            22            23            24            25 
      1   0.868328D+00  0.879636D+01  0.929555D+01 -0.488097D+01  0.146753D+01
      2  -0.108727D+01 -0.141011D+01 -0.151620D+02  0.672702D+01 -0.217078D+01
      3   0.218938D+00 -0.738625D+01  0.586642D+01 -0.184605D+01  0.703252D+00
      4   0.380074D+01  0.170860D+02  0.892367D+01  0.833022D+00 -0.144616D+01
      5  -0.338703D+01 -0.106742D+01  0.374026D+00  0.415822D+01  0.244961D+01
      6  -0.289623D+01 -0.160025D+01  0.102033D+02  0.458106D+01  0.988442D+00
                26            27            28            29            30 
      1  -0.435758D+01 -0.140320D+02 -0.331492D+02  0.133744D+02 -0.155741D+01
      2   0.104452D+02  0.167708D+01  0.194571D+02 -0.709979D+01 -0.127669D+00
      3  -0.608766D+01  0.123550D+02  0.136921D+02 -0.627457D+01  0.168508D+01
      4  -0.203871D+01  0.115078D+02 -0.110994D+02  0.928922D+01 -0.404351D+00
      5   0.105821D+02 -0.791900D+01 -0.308287D+01  0.119265D+01 -0.253267D+01
      6   0.153206D+02 -0.581681D+01  0.208557D+01 -0.143353D+00 -0.171276D+01
                31            32            33            34            35 
      1   0.122491D+02 -0.197862D+01  0.475271D+00 -0.675653D+01  0.217811D+01
      2  -0.386587D+01  0.512291D+01 -0.282483D+01 -0.729683D+00 -0.163510D+01
      3  -0.838321D+01 -0.314429D+01  0.234956D+01  0.748621D+01 -0.543013D+00
      4  -0.442127D+01  0.731788D+01 -0.148565D+01  0.404372D+01 -0.278871D+01
      5   0.170814D+01 -0.109063D+01 -0.633908D+00  0.111644D+01  0.215312D+00
      6  -0.652849D+01 -0.244289D+01  0.187432D+01 -0.139951D+01  0.677878D+01
                36            37            38            39            40 
      1  -0.120936D+02 -0.177716D+02 -0.276309D+02  0.245259D+01 -0.167214D+02
      2  -0.590730D+00  0.152984D+02  0.214391D+02  0.351769D+00  0.549423D+01
      3   0.126843D+02  0.247318D+01  0.619174D+01 -0.280436D+01  0.112271D+02
      4  -0.260890D+01 -0.488536D+01  0.139132D+01 -0.988817D+00  0.579000D+00
      5  -0.118747D+01  0.243632D+01  0.100144D+01 -0.111594D+01  0.510634D+00
      6   0.165740D+01 -0.275552D+01 -0.337196D+00  0.471030D+00  0.812873D+01
                41            42            43            44            45 
      1  -0.109127D+02 -0.343512D+00  0.204511D+01 -0.198709D+01 -0.141630D+02
      2   0.115626D+02 -0.759018D+00  0.237572D+01  0.197642D+01  0.316040D+01
      3  -0.649968D+00  0.110253D+01 -0.442083D+01  0.106652D-01  0.110026D+02
      4  -0.739894D+01  0.280810D+01  0.519452D+00  0.263021D+01 -0.141029D+01
      5   0.313712D+01 -0.192820D+00  0.176358D+01 -0.259209D+01 -0.261877D+00
      6   0.485854D-01  0.151468D+01 -0.295860D+00  0.955374D+01  0.127481D+01
                46            47            48            49            50 
      1   0.120732D+02  0.195659D+02 -0.491501D+00 -0.196945D+02  0.136888D+02
      2  -0.131038D+02 -0.140856D+02  0.400883D+00  0.154018D+02 -0.195432D+02
      3   0.103060D+01 -0.548035D+01  0.906183D-01  0.429271D+01  0.585437D+01
      4   0.604461D+01 -0.193159D+02  0.500096D+01  0.118845D+02 -0.326439D+01
      5  -0.311471D+01  0.278182D+01 -0.208454D+01 -0.654595D+00 -0.393772D+01
      6   0.509400D+01 -0.141177D+01  0.824635D+00 -0.227980D+01  0.969399D+01
                51            52            53            54            55 
      1  -0.415791D+01  0.301290D+01 -0.222530D+01 -0.667471D+01  0.198695D+02
      2   0.609569D+01 -0.437225D+01  0.901577D+01 -0.262858D+01 -0.100429D+02
      3  -0.193778D+01  0.135935D+01 -0.679046D+01  0.930328D+01 -0.982656D+01
      4  -0.370046D+01  0.124467D+01 -0.793577D+01 -0.154923D+02 -0.308480D+01
      5  -0.732968D+01  0.783496D+01 -0.156983D+02  0.649052D+01  0.205321D+01
      6   0.405524D+01 -0.531729D+01  0.141412D+02 -0.264249D+01 -0.310256D+01
                56            57            58            59            60 
      1  -0.132515D+02 -0.396151D+01 -0.177454D+02  0.393873D+01 -0.841808D+01
      2   0.101371D+02  0.393425D+01  0.117965D+02  0.122393D+01  0.613664D+01
      3   0.311443D+01  0.272588D-01  0.594886D+01 -0.516266D+01  0.228144D+01
      4  -0.661096D+01 -0.422117D+01 -0.134493D+02  0.739574D+01 -0.467550D+01
      5  -0.602259D+01 -0.566306D+01 -0.740835D+01 -0.620225D+01  0.130885D+02
      6   0.385726D+01  0.376723D+01  0.699319D+00  0.730771D+01 -0.155590D+02
                61            62            63            64            65 
      1  -0.111464D+01 -0.728044D+01  0.107814D+02 -0.452387D+02  0.136024D+02
      2   0.443336D+01  0.132916D+01 -0.949325D+01  0.231625D+02 -0.909044D+01
      3  -0.331872D+01  0.595128D+01 -0.128816D+01  0.220762D+02 -0.451191D+01
      4  -0.109446D+02  0.182008D+01  0.189186D+02  0.150967D+02  0.319762D+01
      5  -0.144178D+02  0.177774D+02 -0.243688D+01 -0.689176D+01  0.600068D+01
      6   0.151151D+02 -0.212312D+02  0.943475D+01  0.257270D+01  0.114737D+01
                66            67            68            69            70 
      1  -0.427686D+01  0.179668D+02  0.790064D+01  0.786189D+01  0.157842D+01
      2  -0.163137D+01 -0.109335D+02 -0.111086D+02  0.601611D-01  0.959593D+00
      3   0.590822D+01 -0.703338D+01  0.320796D+01 -0.792205D+01 -0.253801D+01
      4   0.399853D+01 -0.118461D+01  0.177221D+00  0.631044D+01  0.561464D+01
      5   0.624256D+01  0.963747D+01  0.780572D+01 -0.462559D+01 -0.157094D+01
      6   0.811169D+00  0.223953D+01 -0.687087D+00 -0.406112D+01 -0.254276D+01
                71            72            73            74            75 
      1   0.308957D+01  0.139577D+02  0.301000D+02  0.835805D+01  0.983333D-01
      2   0.856943D+01  0.132011D+02 -0.168182D+02 -0.571457D+01 -0.103683D+01
      3  -0.116590D+02 -0.271588D+02 -0.132818D+02 -0.264348D+01  0.938493D+00
      4   0.804219D+00 -0.128913D+02  0.132781D+02  0.118636D+02 -0.471649D+01
      5  -0.125925D+02 -0.234339D+02 -0.505625D+01 -0.303252D+01  0.976361D+01
      6  -0.190218D+01 -0.105543D+02 -0.903437D+00 -0.603305D+01 -0.345071D+01
                76            77            78            79            80 
      1  -0.692490D+01 -0.631115D+01  0.794557D+00 -0.678410D+01 -0.391745D+00
      2   0.842414D+01  0.148186D+02  0.114003D+01  0.490956D+01 -0.383046D+01
      3  -0.149924D+01 -0.850743D+01 -0.193458D+01  0.187454D+01  0.422221D+01
      4   0.125144D+02  0.105547D+02 -0.632546D+01 -0.619101D+01 -0.625461D+01
      5  -0.417303D+01 -0.593932D+01 -0.220173D+01  0.105110D+02  0.731078D+01
      6  -0.506194D+00 -0.226983D+01  0.101412D+02  0.380884D+01  0.947130D+01
                81            82            83            84            85 
      1  -0.600536D+01 -0.119259D+02 -0.372025D+01 -0.596339D+00  0.199470D+02
      2  -0.392472D+01  0.910036D+01  0.616353D+01  0.180374D+01 -0.176024D+02
      3   0.993008D+01  0.282551D+01 -0.244328D+01 -0.120740D+01 -0.234454D+01
      4   0.894589D+01  0.649845D+00 -0.231944D+01  0.181198D+01 -0.107908D+01
      5  -0.406192D+01 -0.130944D+01  0.894145D+00 -0.632526D+01 -0.213130D+01
      6  -0.275854D+01 -0.719112D+00  0.107282D+01  0.825283D+01 -0.329942D+01
                86            87            88            89            90 
      1   0.382385D+02  0.127354D+01  0.529939D+01  0.570680D+01  0.288089D+02
      2  -0.360796D+02 -0.189494D+01 -0.557795D+01 -0.826243D+01 -0.276019D+02
      3  -0.215896D+01  0.621400D+00  0.278560D+00  0.255564D+01 -0.120696D+01
      4  -0.558794D+01 -0.229935D+01 -0.276240D+01 -0.395130D+01 -0.752480D+01
      5  -0.309814D+01 -0.372495D+01 -0.288590D+01 -0.922196D+01 -0.143157D+01
      6  -0.377108D+01 -0.250496D+02 -0.736941D+01 -0.404505D+02 -0.335440D+01
                91            92            93            94            95 
      1   0.475171D+02  0.231065D+02 -0.225796D+01  0.197526D+02  0.138763D+02
      2  -0.188010D+02 -0.595978D+01  0.119747D+01 -0.156274D+01  0.352232D+01
      3  -0.287161D+02 -0.171467D+02  0.106049D+01 -0.181899D+02 -0.173987D+02
      4   0.441820D+02  0.313551D+02 -0.207438D+01  0.368751D+02  0.361703D+02
      5  -0.515192D+01 -0.250902D+01  0.777364D+01 -0.512918D+01 -0.428708D+01
      6  -0.796983D+00 -0.634299D+00  0.323006D+01 -0.218534D+01 -0.188606D+01
                96            97            98            99           100 
      1  -0.186338D+01 -0.743981D+00 -0.661843D+00  0.444141D+00  0.914547D+02
      2   0.934273D+00 -0.588763D+00 -0.755163D+00  0.322236D+00 -0.504045D+02
      3   0.929109D+00  0.133274D+01  0.141701D+01 -0.766377D+00 -0.410502D+02
      4  -0.350350D+01 -0.379905D+01 -0.371839D+01  0.254642D+01 -0.308748D+02
      5   0.556051D+01  0.203379D+01  0.137071D+01 -0.754486D+00  0.115894D+02
      6   0.428589D+01  0.115571D+01  0.186226D+01 -0.934701D+00 -0.419036D+00
               101           102           103           104           105 
      1  -0.204877D+02  0.806291D+01 -0.190462D+02  0.132247D+02 -0.294907D+01
      2   0.100130D+02 -0.540046D+01  0.814109D+01 -0.526119D+01  0.199807D+01
      3   0.104747D+02 -0.266245D+01  0.109051D+02 -0.796355D+01  0.951005D+00
      4   0.157316D+02 -0.275444D+01  0.220751D+02 -0.122793D+02  0.259948D+01
      5  -0.255585D+01  0.111627D+02 -0.497931D+01  0.269232D+01 -0.353024D+01
      6   0.627624D+00 -0.180316D+01  0.145057D+01 -0.632480D+00  0.222068D+01
               106           107           108           109           110 
      1   0.101436D+02 -0.321158D+01  0.286545D+01 -0.405095D+01  0.643484D+01
      2  -0.552728D+01  0.150255D+01 -0.181722D+01  0.539459D+01 -0.591579D+01
      3  -0.461630D+01  0.170903D+01 -0.104823D+01 -0.134364D+01 -0.519045D+00
      4  -0.597241D+01  0.297350D+01 -0.220802D+01  0.944857D+00  0.653108D+01
      5   0.357897D+01 -0.111858D+01  0.215416D+01 -0.357076D+00 -0.674544D+00
      6  -0.782608D+00  0.118867D+01 -0.752420D+00 -0.149873D+01  0.187914D+01
               111           112           113           114           115 
      1  -0.167363D+01  0.369071D+01 -0.360998D+02  0.696871D+01 -0.111915D+01
      2   0.112434D+01 -0.305380D+01  0.501784D+02 -0.698737D+01  0.120318D+01
      3   0.549292D+00 -0.636913D+00 -0.140785D+02  0.186557D-01 -0.840224D-01
      4  -0.814009D+00  0.562921D+01  0.182831D+02 -0.379418D+01 -0.926658D+00
      5   0.115936D+01 -0.860101D+00 -0.445147D+01  0.246783D+01  0.747215D+00
      6  -0.977389D+00  0.224457D+00 -0.131304D+02  0.917333D+01 -0.197518D+00
               116           117           118           119           120 
      1   0.720328D+01 -0.299888D+01  0.135628D+01 -0.319485D+01  0.610478D+00
      2  -0.886395D+01  0.321740D+01  0.328849D+01 -0.248418D+01  0.537125D-01
      3   0.166067D+01 -0.218515D+00 -0.464477D+01  0.567903D+01 -0.664190D+00
      4  -0.302649D+01 -0.253411D+00 -0.106500D+02  0.150505D+02 -0.273829D+01
      5   0.378961D+00 -0.188689D+00  0.188274D+01 -0.248191D+01  0.274406D+01
      6   0.482998D+01 -0.299507D+01 -0.175313D+01  0.181565D+01 -0.177352D+01
               121           122           123           124           125 
      1   0.930526D+00 -0.238595D+02  0.415808D+01  0.188352D+00  0.419582D+01
      2  -0.762065D+01  0.431475D+02 -0.509978D+01  0.931512D+00 -0.697368D+01
      3   0.669013D+01 -0.192880D+02  0.941701D+00 -0.111986D+01  0.277786D+01
      4   0.168143D+02 -0.414013D+02  0.707859D+01 -0.347234D+01  0.844648D+01
      5  -0.265951D+01  0.638117D+01 -0.507483D+01  0.129263D+01 -0.163860D+01
      6   0.270093D+01 -0.107009D+02  0.873889D+01 -0.126141D+01  0.495949D+01
               126           127           128           129           130 
      1  -0.275595D+01  0.352096D+00 -0.118996D+01  0.272687D+01  0.376451D+01
      2   0.321161D+01 -0.274753D+00  0.208579D+00 -0.195587D+01 -0.385350D+01
      3  -0.455659D+00 -0.773432D-01  0.981386D+00 -0.771002D+00  0.889945D-01
      4  -0.195362D+01 -0.377013D+01  0.647074D+01 -0.337249D+01  0.999104D+01
      5   0.131837D+01  0.455011D+01 -0.249232D+01  0.667613D+01 -0.323223D+01
      6  -0.289469D+01 -0.524451D+01  0.860648D+00 -0.173093D+01  0.385455D+01
               131           132           133           134           135 
      1  -0.134635D+02  0.912969D+01 -0.355995D+00  0.104247D+02 -0.150049D+02
      2   0.136301D+02 -0.683971D+01 -0.913085D+00 -0.507155D+01  0.391833D+00
      3  -0.166616D+00 -0.228998D+01  0.126908D+01 -0.535313D+01  0.146131D+02
      4  -0.139784D+02  0.686744D+01 -0.543897D+01  0.863725D+01 -0.965852D+01
      5   0.721570D+01 -0.890370D+01  0.957587D+01 -0.999098D+01  0.152739D+02
      6  -0.156701D+02  0.166480D+02 -0.712740D+01  0.176570D+02 -0.223802D+02
               136           137           138           139           140 
      1  -0.199563D+02  0.290690D+02  0.679274D+01  0.280394D+02  0.671886D+01
      2  -0.720693D+01 -0.172265D+02 -0.832000D+01 -0.147020D+02 -0.864311D+01
      3   0.271632D+02 -0.118425D+02  0.152726D+01 -0.133374D+02  0.192425D+01
      4   0.367658D+02 -0.154768D+02  0.491921D+01 -0.815960D+01 -0.315657D+01
      5   0.384766D+01 -0.736466D-01  0.462694D+01  0.279613D+01  0.273588D+00
      6  -0.304194D+01 -0.102646D+02 -0.614224D+01 -0.961690D+01 -0.587381D+01
               141           142           143           144           145 
      1   0.308299D+01  0.511781D+01  0.330069D+01 -0.259311D+01  0.256147D+01
      2  -0.169232D+02 -0.836197D+01 -0.121646D+02  0.136193D+02 -0.373800D+01
      3   0.138402D+02  0.324417D+01  0.886394D+01 -0.110262D+02  0.117653D+01
      4  -0.773471D+00  0.167151D+02 -0.749315D+01 -0.181431D+02  0.191773D+00
      5  -0.154835D+02  0.103780D+02 -0.180822D+02  0.128838D+01  0.363035D+01
      6   0.646451D+01 -0.134696D+02  0.109887D+02  0.552652D+01  0.128522D+01
               146           147           148           149           150 
      1   0.815109D+00  0.731522D+01  0.616737D+00 -0.615042D+01 -0.570364D+01
      2   0.135740D+00 -0.339143D-01 -0.130279D+01  0.144993D+01 -0.206086D+01
      3  -0.950849D+00 -0.728130D+01  0.686052D+00  0.470049D+01  0.776450D+01
      4  -0.924607D+00  0.659845D+00  0.307615D+01  0.592296D+01  0.654384D+01
      5   0.222242D+00  0.809413D+00  0.320057D+01  0.573309D+01  0.881409D+01
      6  -0.860018D+00 -0.136505D+01  0.123374D+01  0.630822D+01  0.107024D+02
               151           152           153           154           155 
      1   0.453039D+01 -0.414510D+01 -0.168584D+02  0.754673D+02 -0.862626D+01
      2  -0.726079D+01 -0.259358D+01 -0.215140D+02 -0.424361D+02  0.473832D+01
      3   0.273040D+01  0.673869D+01  0.383724D+02 -0.330311D+02  0.388794D+01
      4   0.250993D+01  0.760631D+01  0.827552D+01 -0.853555D+01  0.104223D+02
      5   0.126313D+02  0.762923D+01  0.342841D+02  0.168974D+02 -0.220146D+01
      6   0.221020D+01  0.745278D+01  0.122320D+02 -0.136686D+01  0.133242D+01
               156           157           158           159           160 
      1   0.563477D+01 -0.138260D+02  0.766258D+01 -0.213154D+01 -0.192598D+01
      2  -0.535250D+01  0.777679D+01 -0.285092D+01  0.999974D+00 -0.570663D+00
      3  -0.282269D+00  0.604922D+01 -0.481166D+01  0.113157D+01  0.249664D+01
      4  -0.694843D+00  0.123729D+02 -0.568926D+01  0.436172D+00 -0.434893D+00
      5   0.106888D+02 -0.446705D+01  0.123561D+01 -0.188574D+01  0.105496D+02
      6  -0.499581D+00  0.215520D+01 -0.122595D+01  0.214012D+01 -0.742878D+00
               161           162           163           164           165 
      1  -0.257755D+00  0.557168D+01 -0.497821D+00  0.268161D+01  0.109990D+01
      2  -0.768156D+00 -0.539670D+01  0.171885D+01 -0.245785D+01 -0.141165D+01
      3   0.102591D+01 -0.174975D+00 -0.122103D+01 -0.223768D+00  0.311757D+00
      4  -0.969029D+00 -0.279071D+00  0.283887D+01  0.733224D+01  0.440379D+01
      5  -0.627623D+00  0.311962D+01  0.182586D+01  0.277634D+01  0.474810D+01
      6   0.130217D+01  0.376842D+00  0.629309D+01  0.421125D+00  0.868336D+00
               166           167           168           169           170 
      1  -0.426951D+01 -0.303670D+02 -0.111160D+02 -0.234345D+01 -0.241732D+02
      2   0.601444D+01  0.384820D+02  0.131590D+02  0.298986D+01  0.257430D+02
      3  -0.174493D+01 -0.811500D+01 -0.204301D+01 -0.646407D+00 -0.156974D+01
      4   0.679139D+01  0.100849D+02  0.382031D+01  0.826193D+01  0.776077D+01
      5   0.246536D+01  0.404537D+01  0.314136D+01  0.524297D+01  0.686991D+01
      6   0.334522D+01  0.206528D+02  0.166664D+02  0.629452D+01  0.300416D+02
               171           172           173           174           175 
      1  -0.205420D+02  0.149309D-01  0.360978D+01 -0.286503D+01 -0.400853D+01
      2   0.154399D+02  0.431076D+00 -0.383597D+01  0.189517D+01  0.484580D+01
      3   0.510213D+01 -0.446007D+00  0.226194D+00  0.969865D+00 -0.837267D+00
      4   0.568701D+01  0.802343D+00  0.619543D+01 -0.421378D+01  0.544382D+01
      5   0.582156D+01 -0.111282D+01 -0.241237D+01  0.341811D+01 -0.163800D+01
      6   0.247944D+02 -0.520298D+01  0.197156D+01 -0.132581D+01 -0.203861D+01
               176           177           178           179           180 
      1  -0.264028D+02  0.119962D+02  0.106454D+01  0.195507D+02 -0.202373D+02
      2   0.320697D+02 -0.131325D+02 -0.130217D+01 -0.192441D+02  0.135244D+02
      3  -0.566683D+01  0.113628D+01  0.237632D+00 -0.306613D+00  0.671291D+01
      4   0.736150D+01 -0.285795D+01 -0.597809D+01 -0.513427D+01  0.448024D+01
      5  -0.368973D+01  0.342798D+01  0.391933D+01  0.603231D+01 -0.513766D+01
      6  -0.190633D+02  0.171680D+02  0.480026D+01  0.260905D+02 -0.230360D+02
               181           182           183           184           185 
      1   0.346574D+01 -0.156662D+01 -0.403908D+01  0.115561D+01 -0.774502D+00
      2  -0.338928D+01  0.504466D+00  0.365959D+01 -0.253425D+01 -0.522458D+01
      3  -0.764676D-01  0.106215D+01  0.379490D+00  0.137863D+01  0.599909D+01
      4  -0.250745D+01  0.200786D+01  0.367404D+00 -0.312443D+00  0.741468D+01
      5  -0.454904D+01 -0.149990D+01  0.465529D+01 -0.584368D+01 -0.343491D+01
      6   0.762349D+00  0.108721D+01  0.485231D+00  0.159206D+01 -0.278301D+01
               186           187           188           189           190 
      1   0.202937D+01 -0.394105D+01 -0.775265D+00 -0.783296D+01  0.436375D+02
      2   0.115059D+02  0.619243D+01  0.938951D+01 -0.193458D+02 -0.974982D+01
      3  -0.135353D+02 -0.225138D+01 -0.861425D+01  0.271788D+02 -0.338877D+02
      4  -0.340350D+01  0.971077D+00 -0.538828D+01  0.528717D+01 -0.498542D+02
      5   0.118774D+02  0.847761D+01  0.491054D+01 -0.202221D+02 -0.135943D+02
      6  -0.194482D+01 -0.132777D+01  0.291724D+01  0.743225D+01  0.536138D+01
               191           192           193           194           195 
      1  -0.133866D+02  0.148307D+00 -0.102957D+02  0.294481D+01 -0.920829D+00
      2  -0.398967D+01  0.180876D+01 -0.410909D+01  0.900377D+01  0.121848D+01
      3   0.173763D+02 -0.195706D+01  0.144048D+02 -0.119486D+02 -0.297654D+00
      4   0.306949D+02  0.288110D+01  0.252857D+02 -0.209441D+02 -0.116667D+01
      5   0.633049D+01  0.974768D+01  0.424509D+01 -0.321218D+01 -0.243057D+01
      6  -0.415212D+01 -0.645457D+01 -0.211622D+01  0.379429D+01  0.351704D+01
               196           197           198           199           200 
      1   0.427169D+01 -0.105277D+01  0.382880D+01 -0.674686D+01 -0.168853D+02
      2   0.125316D+01 -0.119879D+01 -0.254585D+01  0.920673D+01  0.185801D+02
      3  -0.552485D+01  0.225156D+01 -0.128295D+01 -0.245987D+01 -0.169480D+01
      4  -0.655030D+01  0.446313D+01 -0.372790D+01  0.336235D+01  0.234177D+01
      5   0.669561D+01 -0.169255D+01  0.437086D+00  0.285893D+01  0.664845D+00
      6  -0.420066D+01  0.246653D+01 -0.132195D+01  0.408152D+01  0.101246D+02
               201           202           203           204           205 
      1  -0.782176D+01 -0.116018D+02 -0.264953D+02 -0.105914D+02 -0.353313D+01
      2   0.551280D+01  0.103463D+02  0.355248D+02  0.103675D+02  0.248428D+01
      3   0.230896D+01  0.125549D+01 -0.902955D+01  0.223905D+00  0.104885D+01
      4  -0.160312D+00  0.725173D+01 -0.629632D+01 -0.220062D+01 -0.317147D+00
      5  -0.938150D+00  0.279267D+01 -0.162339D+01 -0.112274D+01  0.116070D+01
      6   0.843677D+01  0.423652D+01  0.175324D+02  0.113755D+02  0.415672D+01
               206           207 
      1  -0.876038D+01 -0.863709D+01
      2   0.765568D+01  0.420386D+01
      3   0.110470D+01  0.443323D+01
      4  -0.813583D+00  0.122251D+01
      5  -0.954397D-01 -0.163017D+01
      6   0.992241D+01  0.786920D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.226347D+00      0.575317D+00      0.191905D+01
   y          0.189666D+00      0.482084D+00      0.160806D+01
   z         -0.308094D+00     -0.783097D+00     -0.261213D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.139945D+03      0.207377D+02      0.230738D+02
   yx        -0.282459D+01     -0.418560D+00     -0.465711D+00
   yy         0.123418D+03      0.182887D+02      0.203489D+02
   zx         0.287768D+01      0.426428D+00      0.474465D+00
   zy        -0.388014D+01     -0.574978D+00     -0.639749D+00
   zz         0.804671D+02      0.119240D+02      0.132672D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119525D+03      0.177117D+02      0.197070D+02
   aniso      0.553734D+02      0.820549D+01      0.912984D+01
   xx         0.146032D+03      0.216397D+02      0.240774D+02
   yx        -0.224600D+01     -0.332823D+00     -0.370315D+00
   yy         0.127887D+03      0.189509D+02      0.210857D+02
   zx         0.268167D+01      0.397382D+00      0.442147D+00
   zy        -0.395239D+01     -0.585683D+00     -0.651661D+00
   zz         0.846554D+02      0.125446D+02      0.139578D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.66220243         -0.83929219          3.54989462
     6          4.66476626          1.25623974          2.31679814
     6          1.31896453         -1.76693413          2.83444931
     6         -0.06333214         -0.63268118          0.89704235
     6          0.94850526          1.47008224         -0.33271392
     6          3.30472591          2.39897540          0.39150176
     6         -2.60382006         -1.68251464          0.10436484
     6         -4.06600245          0.33679553         -1.34717779
     8         -2.56923868          1.34538785         -3.33249771
     6         -0.52623406          2.78670377         -2.39072981
     1          4.70441885         -1.74128215          5.06108897
     1          6.49630156          1.99076441          2.85463850
     1          0.53275239         -3.39560187          3.79687613
     1          4.08091096          4.03222583         -0.57264486
     1         -3.67930483         -2.14309546          1.81176297
     6         -2.30054647         -4.09564630         -1.47271244
     1         -4.65982098          1.85995797         -0.06673155
     1         -5.74753054         -0.45747117         -2.23388248
     1         -1.23032680          4.60840651         -1.67092280
     1          0.69143089          3.18777572         -4.00508959
     1         -1.34355663         -3.67049862         -3.24745136
     1         -4.14225117         -4.92038558         -1.90762434
     1         -1.18449193         -5.50425137         -0.46433365

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.426765D+00      0.108473D+01      0.361827D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.126668D+03      0.187703D+02      0.208848D+02
   yx         0.148868D+02      0.220599D+01      0.245450D+01
   yy         0.112526D+03      0.166746D+02      0.185530D+02
   zx         0.207075D+02      0.306853D+01      0.341420D+01
   zy        -0.141025D+02     -0.208978D+01     -0.232519D+01
   zz         0.104636D+03      0.155055D+02      0.172522D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119525D+03      0.177117D+02      0.197070D+02
   aniso      0.553734D+02      0.820549D+01      0.912984D+01
   xx         0.131895D+03      0.195448D+02      0.217465D+02
   yx         0.147870D+02      0.219121D+01      0.243805D+01
   yy         0.116796D+03      0.173074D+02      0.192571D+02
   zx         0.217451D+02      0.322229D+01      0.358528D+01
   zy        -0.142779D+02     -0.211577D+01     -0.235411D+01
   zz         0.109883D+03      0.162831D+02      0.181173D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-21\Freq\RwB97XD\Gen\C10H12O1\PIERPA\23-Jul-2021\0\\#P
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 0.58705,-2.485409,0.974413\H,-1.772163,1.053131,1.726763\H,-2.725724,2
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 .1974092\Thermal=0.2064721\Dipole=0.2263472,0.1896665,-0.3080942\Dipol
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 16,-0.1115051,0.0222243,-0.0655919,-0.0037461,0.0144073,0.0641028,-0.0
 052956,0.004476,-0.0696659,0.1670105,0.3546624,0.0161578,0.0422868,-0.
 0272684,0.5185376,-0.1183278,0.1771116,-0.1542932,0.4731135,-0.7803533
 ,0.1241528,-0.0247589,0.1711151,-0.7565201,0.128128,-0.071955,0.155330
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 0.0264361,0.0576495,-0.0114163,0.1182363,-0.0385499,0.0591131,0.020883
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 IT IS BY LOGIC THAT WE PROVE, BUT BY INTUITION THAT WE DISCOVER.
     -- J.H.POINCARE (1854-1912)
 Job cpu time:       0 days  3 hours 53 minutes 40.2 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 39.2 seconds.
 File lengths (MBytes):  RWF=    288 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 18:25:00 2021.
